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Number of items at this level (without sub-levels): 666.

A

Asanbaeva, Nargiz B. ; Gurskaya, Larisa Yu. ; Polienko, Yuliya F. ; Rybalova, Tatyana V. ; Kazantsev, Maxim S. ; Dmitriev, Alexey A. ; Gritsan, Nina P. ; Haro-Mares, Nadia ; Gutmann, Torsten ; Buntkowsky, Gerd ; Tretyakov, Evgeny V. ; Bagryanskaya, Elena G. (2023)
Effects of Spiro-Cyclohexane Substitution of Nitroxyl Biradicals on Dynamic Nuclear Polarization.
In: Molecules, 2022, 27 (10)
doi: 10.26083/tuprints-00024226
Article, Secondary publication, Publisher's Version

Anand, Megha ; Beale, Andrew M. ; Boronat, Mercedes ; Bowker, M. ; Bugaev, Aram L. ; Bukhtiyarov, Valerii I. ; Catlow, C. Richard A. ; Chansai, Sarayute ; Claeys, Michael ; Conway, Matthew ; Davies, Philip R. ; Edwards, Jennifer ; El-Kadi, Joseph ; Eremin, Dmitry ; Fischer, Nico ; Guan, Shaoliang ; Hargreaves, Justin S. J. ; Hess, Christian ; Hutchings, Graham J. ; Jameel, Froze ; Reza Kamali, Ali ; Kondrat, Simon ; Lawes, Naomi ; Lennon, David ; Li, Diyuan ; Morgan, Patrick ; Oyarzún Aravena, Andrea M. ; Reece, Christian ; Réocreux, Romain ; Seavill, Peter W. ; Sekine, Yasushi ; Shozi, Mzamo ; Silverwood, Ian ; Sinev, Mikhail ; Smith, Collin ; Stamatakis, Michail ; Torrente Murciano, Laura ; Uner, Deniz ; Weckhuysen, Bert M. ; Whiston, Keith ; Wolf, Moritz ; Yang, Bo ; Zeinalipour-Yazdi, Constantinos D. (2021)
Advanced approaches: general discussion.
In: Faraday Discussions, 229
doi: 10.1039/D1FD90032C
Article, Bibliographie

Ananikov, Valentine ; Bugaev, Aram ; Chansai, Sarayute ; Claeys, Michael ; Conway, Matthew ; Eremin, Dmitry ; Greaves, Megan ; Hess, Christian ; Hintermair, Ulrich ; Hutchings, Graham ; Jameel, Froze ; Kamali, Ali Reza ; Koehler, Klaus ; Malkov, Andrei ; Morgan, Patrick ; Oyarzún Aravena, Andrea M. ; Seavill, Peter W. ; Sinev, Mikhail ; Torrente Murciano, Laura ; Uner, Deniz ; Whiston, Keith ; Williams, Charlotte K. ; Wolf, Moritz (2021)
Dynamics: general discussion.
In: Faraday Discussions, 229
doi: 10.1039/D1FD90031E
Article, Bibliographie

Abdulhussain, Safaa (2015)
Novel heterogeneous organometallic polymer hybrid catalysts : synthesis, characterization, optimization and application.
Technische Universität Darmstadt
Ph.D. Thesis, Bibliographie

Abdulhussain, S. ; Breitzke, H. ; Ratajczyk, T. ; Grünberg, A. ; Srour, M. ; Arnaut, D. ; Weidler, H. ; Kunz, U. ; Kleebe, H.-J. ; Bommerich, U. ; Bernarding, J. ; Gutmann, T. ; Buntkowsky, G. (2014)
Synthesis, Solid-State NMR Characterization, and Application for Hydrogenation Reactions of a Novel Wilkinson's-Type Immobilized Catalyst.
In: Chemistry - A European Journal, 20 (4)
doi: 10.1002/chem.201303020
Article, Bibliographie

Amadeu, N. D. ; Grünberg, B. ; Frydel, J. ; Werner, M. ; Limbach, H. H. ; Breitzke, H. ; Buntkowsky, G. (2012)
Melting of Low Molecular Weight Compounds in Confinement Observed by H-2-Solid State NMR: Biphenyl, a Case Study.
In: Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, 226 (11-12)
Article, Bibliographie

Alaghemandi, Mohammad (2010)
Thermal Conductivity and Thermal Rectification in Carbon Nanotubes - Reverse Non-Equilibrium Molecular Dynamics Simulations.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Algaer, Elena (2010)
Thermal Conductivity of Polymer Materials - Reverse Nonequilibrium Molecular Dynamics Simulations.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Akcakayiran, D. ; Mauder, D. ; Hess, Christian ; Sievers, T. ; Kurth, D. G. ; Shenderovich, I. ; Limbach, H. H. ; Findenegg, G. H. (2008)
Carboxylic Acid-Doped SBA-15 Silica as a Host for Metallo-supramolecular Coordination Polymers†.
In: The Journal of Physical Chemistry B, 112 (46)
doi: 10.1021/jp804712w
Article, Bibliographie

Adamczyk, A. ; Xu, Y. ; Walaszek, B. ; Roelofs, F. ; Pery, T. ; Pelzer, K. ; Philippot, K. ; Chaudret, B. ; Limbach, H. H. ; Breitzke, H. ; Buntkowsky, G. (2008)
Solid state and gas phase NMR studies of immobilized catalysts and catalytic active nanoparticles.
In: Topics in Catalysis, 48 (1-4)
Article, Bibliographie

Ahmed, M. ; Haase, Wolfgang ; El-Saddek, M. ; Elwahy, Ahmed H. M. ; Svoboda, Ingrid ; Fuess, Hartmut (2003)
Crystal structure of 1,3-bis[3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridine-dione-9-yl] benzene, C 40 H 48 N 2 O 4.
In: Zeitschrift für Kristallographie / New crystal structures, 218
Article, Bibliographie

Allgeier, J. ; Buntkowsky, G. ; Hentrich, S. ; Hoffmann, W. ; Vieth, H. M. (1992)
Optical Nuclear-Polarization of Deuterium Spins - Mechanisms and Applications in Solid-State NMR.
In: Israel Journal of Chemistry, 32 (2-3)
Article, Bibliographie

Allgeier, J. ; Buntkowsky, G. ; Hentrich, S. ; Nack, M. ; Vieth, H. M. (1989)
Mobility in Single-Crystals Studied by Optical Nuclear-Polarization.
In: Berichte Der Bunsen-Gesellschaft-Physical Chemistry Chemical Physics, 93 (11)
Article, Bibliographie

B

Bag, Saientan ; Jha, Ayush ; Müller‐Plathe, Florian (2023)
Machine learning assisted Monte Carlo simulation: efficient overlap determination for nonspherical hard bodies.
In: Advanced Theory and Simulations, 6 (11)
doi: 10.1002/adts.202300520
Article, Bibliographie

Buntkowsky, Gerd ; Döller, Sonja ; Haro-Mares, Nadia ; Gutmann, Torsten ; Hoffmann, Markus (2023)
Solid-state NMR studies of non-ionic surfactants confined in mesoporous silica.
In: Zeitschrift für Physikalische Chemie, 2022, 236 (6-8)
doi: 10.26083/tuprints-00024237
Article, Secondary publication, Publisher's Version

Bein, Nicole S. ; Kmet, Brigita ; Rojac, Tadej ; Golob, Andreja Benčan ; Malič, Barbara ; Moxter, Julian ; Schneider, Thorsten ; Fulanovic, Lovro ; Azadeh, Maryam ; Frömling, Till ; Egert, Sonja ; Wang, Hongguang ; Aken, Peter van ; Schwarzkopf, Jutta ; Klein, Andreas (2022)
Fermi energy, electrical conductivity, and the energy gap of NaNbO3.
In: Physical Review Materials, 6 (8)
doi: 10.1103/PhysRevMaterials.6.084404
Article, Bibliographie

Bodurka, Jerzy ; Buntkowsky, Gerd ; Gutsze, Aleksander (2022)
Evidence of Surface Diffusion of Water Molecules on Proteins of Rabbit Lens by ¹H NMR Relaxation Measurements.
In: Zeitschrift für Naturforschung C, 1996, 51 (1-2)
doi: 10.26083/tuprints-00018892
Article, Secondary publication, Publisher's Version

Bielejewski, Michal̷ ; Pinto-Salazar, Monica ; Lindner, L̷ukasz ; Pankiewicz, Radosl̷aw ; Buntkowsky, Gerd ; Tritt-Goc, Jadwiga (2022)
Dynamics and Proton Transport in Imidazole-Doped Nanocrystalline Cellulose Revealed by High-Resolution Solid-State Nuclear Magnetic Resonance Spectroscopy.
In: The Journal of Physical Chemistry C, 2020, 124 (35)
doi: 10.26083/tuprints-00020295
Article, Secondary publication, Publisher's Version

Buntkowsky, Gerd ; Ivanov, Konstantin L. ; Zimmermann, Herbert ; Vieth, Hans-Martin (2022)
Coherent manipulation of non-thermal spin order in optical nuclear polarization experiments.
In: The Journal of Chemical Physics, 2017, 146 (11)
doi: 10.26083/tuprints-00019736
Article, Secondary publication, Publisher's Version

Buchholz, Bernhard ; Ebert, Volker (2022)
Absolute, pressure-dependent validation of a calibration-free, airborne laser hygrometer transfer standard (SEALDH-II) from 5 to 1200 ppmv using a metrological humidity generator.
In: Atmospheric Measurement Techniques, 2018, 11 (1)
doi: 10.26083/tuprints-00012850
Article, Secondary publication, Publisher's Version

Bernhardt, Marvin P. (2022)
Development of Iterative Methods for Coarse-Graining Molecular Liquids.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00021375
Ph.D. Thesis, Primary publication, Publisher's Version

Baranyai, Julian (2022)
Clusterkatalyse unter technischen Bedingungen - Design einer Hochdruckzelle zum Studium von Münzmetallclustern als heterogene Katalysatoren.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00023006
Ph.D. Thesis, Primary publication, Publisher's Version

Buntkowsky, Gerd ; Theiss, Franziska ; Lins, Jonas ; Miloslavina, Yuliya A. ; Wienands, Laura ; Kiryutin, Alexey ; Yurkovskaya, Alexandra (2022)
Recent advances in the application of parahydrogen in catalysis and biochemistry.
In: RSC Advances, 12 (20)
doi: 10.1039/D2RA01346K
Article, Bibliographie

Bothe, Sarah Catherine (2021)
Investigations of nonionic surfactants and a novel polarization transfer mechanism for dynamic nuclear polarization enhanced NMR.
Technische Universität Darmstadt
Ph.D. Thesis, Bibliographie

Buntkowsky, Gerd ; Vogel, Michael (2021)
Small Molecules, Non-Covalent Interactions, and Confinement.
In: Molecules, 2020, 25 (14)
doi: 10.26083/tuprints-00018895
Article, Secondary publication, Publisher's Version

Brodrecht, Martin ; Kumari, Bharti ; Breitzke, Hergen ; Gutmann, Torsten ; Buntkowsky, Gerd (2021)
Chemically Modified Silica Materials as Model Systems for the Characterization of Water-Surface Interactions.
In: Zeitschrift für Physikalische Chemie, 2018, 232 (7-8)
doi: 10.26083/tuprints-00019694
Article, Secondary publication, Publisher's Version

Buntkowsky, Gerd ; Limbach, Hans-Heinrich ; Walaszek, B. ; Adamczyk, Anna ; Xu, Y. ; Breitzke, H. ; Schweitzer, A. ; Gutmann, T. ; Wächtler, Maria ; Amadeu, N. ; Tietze, D. ; Chaudret, Bruno (2021)
Mechanisms of Dipolar Ortho/Para-H2O Conversion in Ice.
In: Zeitschrift für Physikalische Chemie, 2008, 222 (7)
doi: 10.26083/tuprints-00019689
Article, Secondary publication, Publisher's Version

Bodurka, Jerzy ; Gutsze, Aleksander ; Buntkowsky, Gerd ; Limbach, Hans-Heinrich (2021)
Evidence of Anisotropie Reorientations of Water Molecules in the Cortex of the Rabbit Lens Detected by ¹H-NMR Spectroscopy.
In: Zeitschrift für Physikalische Chemie, 1995, 190 (1)
doi: 10.26083/tuprints-00019679
Article, Secondary publication, Publisher's Version

Brodrecht, Martin ; Klotz, Edda ; Lederle, Christina ; Breitzke, Hergen ; Stühn, Bernd ; Vogel, Michael ; Buntkowsky, Gerd (2021)
A Combined Solid-State NMR, Dielectric Spectroscopy and Calorimetric Study of Water in Lowly Hydrated MCM-41 Samples.
In: Zeitschrift für Physikalische Chemie, 2018, 232 (7-8)
doi: 10.26083/tuprints-00019681
Article, Secondary publication, Publisher's Version

Buntkowsky, Gerd ; Vogel, Michael ; Winter, Roland (2021)
Properties of Hydrogen-Bonded Liquids at Interfaces.
In: Zeitschrift für Physikalische Chemie, 2018, 232 (7-8)
doi: 10.26083/tuprints-00019683
Article, Secondary publication, Publisher's Version

Buntkowsky, Gerd ; Vogel, Michael (2021)
Editorial: Molecules in Prison.
In: Zeitschrift für Physikalische Chemie, 2018, 232 (7-8)
doi: 10.26083/tuprints-00019682
Article, Secondary publication, Publisher's Version

Brilmayer, Robert ; Hess, Christian ; Andrieu‐Brunsen, Annette (2021)
Influence of Chain Architecture on Nanopore Accessibility in Polyelectrolyte Block‐Co‐Oligomer Functionalized Mesopores.
In: Small, 2019, 41 (15)
doi: 10.26083/tuprints-00019924
Article, Secondary publication, Publisher's Version

Buntkowsky, Gerd ; Vogel, Michael (2020)
Small Molecules, Non-Covalent Interactions, and Confinement.
In: Molecules, 25 (14)
doi: 10.3390/molecules25143311
Article, Bibliographie

Brilmayer, Robert ; Hess, Christian ; Andrieu‐Brunsen, Annette (2019)
Functionalized Nanopores: Influence of Chain Architecture on Nanopore Accessibility in Polyelectrolyte Block‐Co‐Oligomer Functionalized Mesopores.
doi: 10.1002/smll.201970220
Other, Bibliographie

Brilmayer, Robert ; Hess, Christian ; Andrieu‐Brunsen, Annette (2019)
Influence of Chain Architecture on Nanopore Accessibility in Polyelectrolyte Block‐Co‐Oligomer Functionalized Mesopores.
In: Small, 15 (41)
doi: 10.1002/smll.201902710
Article, Bibliographie

Brodrecht, Martin (2019)
Synthese und Charakterisierung hochgeordneter peptidmodifizierter Silicananoporen als Modellsysteme für biologische Hybridmaterialien.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Berka, Sebastian ; Fleischer, Viktoriya ; Hess, Christian (2019)
Shining Light on Indium Oxide Gas Sensors at Work: A Combined Operando Raman/UV-Vis/FT-IR Spectroscopic Study.
In: Proceedings, 14 (1)
doi: 10.3390/proceedings2019014011
Article, Bibliographie

Balevicius, Vytautas ; Maršalka, Aru̅nas ; Klimavičius, Vytautas ; Dagys, Laurynas ; Gdaniec, Maria ; Svoboda, Ingrid ; Fuess, Hartmut (2018)
NMR and XRD Study of Hydrogen Bonding in Picolinic Acid N-Oxide in Crystalline State and Solutions: Media and Temperature Effects on Potential Energy Surface.
In: The Journal of Physical Chemistry A, 122 (34)
doi: 10.1021/acs.jpca.8b05421
Article, Bibliographie

Buchholz, A. ; Nica, S. ; Debel, R. ; Fenn, A. ; Breitzke, H. ; Buntkowsky, G. ; Plass, W. (2014)
Vanadium complexes with side chain functionalized N-salicylidene hydrazides: Hydrogen-bonding relays as structural directive for supramolecular interactions.
In: Inorganica Chimica Acta, 420
Article, Bibliographie

Bałanda, Maria ; Tomkowicz, Zbigniew ; Haase, Wolfgang ; Rams, Michał (2011)
Single-chain magnet features in 1D [MnR₄TPP][TCNE] compounds.
In: Journal of Physics: Conference Series, 303 (1)
doi: 10.1088/1742-6596/303/1/012036
Article, Bibliographie

Brickmann, Jürgen ; Paparcone, Raffaella ; Kokolakis, Simon ; Zahn, Dirk ; Duchstein, Patrick ; Carrillo-Cabrera, Wilder ; Simon, Paul ; Kniep, Rüdiger (2010)
Fluorapatite-Gelatine Nanocomposite Superstructures: New Insights into a Biomimetic System of High Complexity.
In: ChemPhysChem, 11 (9)
doi: 10.1002/cphc.201000232
Article, Bibliographie

Bommerich, U. ; Trantzschel, T. ; Mulla-Osman, S. ; Buntkowsky, G. ; Bargon, J. ; Bernarding, J. (2010)
Hyperpolarized F-19-MRI: parahydrogen-induced polarization and field variation enable F-19-MRI at low spin density.
In: Physical Chemistry Chemical Physics, 12 (35)
Article, Bibliographie

Buntkowsky, G. ; Breitzke, H. (2010)
Structures and their Change: What Nuclear Spins tell us.
In: Nachrichten aus der Chemie, 58 (2)
Article, Bibliographie

Buntkowsky, G. ; Limbach, H. H. ; Walaszek, B. ; Adamczyk, A. ; Xu, Y. ; Breitzke, H. ; Schweitzer, A. ; Gutmann, T. ; Wächtler, M. ; Frydel, J. ; Emmler, T. ; Amadeu, N. ; Tietze, D. ; Chaudret, B. (2008)
Mechanisms of dipolar ortho/para-H2O conversion in ice.
In: Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, 222 (7)
Article, Bibliographie

Böhm, Michael C. ; Ramirez, Rafael ; Schulte, Joachim (2007)
On the influence of vibrational modes and intramolecular isomerization processes on the NMR parameters of bullvalene : A Feynman path integral - ab initio investigation.
In: Chemical Physics, 342
Article, Bibliographie

Buntkowsky, G. ; Breitzke, H. ; Adamczyk, A. ; Roelofs, F. ; Emmler, T. ; Gedat, E. ; Grünberg, B. ; Xu, Y. P. ; Limbach, H. H. ; Shenderovich, I. ; Vyalikh, A. ; Findenegg, G. (2007)
Structural and dynamical properties of guest molecules confined in mesoporous silica materials revealed by NMR.
In: Physical Chemistry Chemical Physics, 9 (35)
Article, Bibliographie

Bernarding, J. ; Buntkowsky, G. ; Macholl, S. ; Hartwig, S. ; Burghoff, M. ; Trahms, L. (2006)
J-coupling nuclear magnetic resonance spectroscopy of liquids in nT fields.
In: Journal of the American Chemical Society, 128 (3)
Article, Bibliographie

Buntkowsky, G. ; Limbach, H. H. (2006)
Dihydrogen Transfer and Symmetry: The Role of Symmetry on the Chemistry of Dihydrogen Transfer in the Light of NMR Spectroscopy.
In: Hydrogen‐Transfer Reactions, Kapitel 22
Book Section, Bibliographie

Buntkowsky, G. ; Limbach, H. H. (2006)
H-solid state NMR studies of tunneling phenomena and isotope effects in transition metal dihydrides.
In: Journal of Low Temperature Physics, 143 (3-4)
Article, Bibliographie

Buntkowsky, G. ; Walaszek, B. ; Adamczyk, A. ; Xu, Y. ; Limbach, H. H. ; Chaudret, B. (2006)
Mechanism of nuclear spin initiated para-H-2 to ortho-H-2 conversion.
In: Physical Chemistry Chemical Physics, 8 (16)
Article, Bibliographie

Boca, Roman ; Hvastijova, Maria ; Kozisek, Jozef ; Valko, Marian ; Ehrenberg, Helmut ; Fuess, Hartmut ; Haase, Wolfgang ; Svoboda, Ingrid ; Werner, Rüdiger (2005)
A trinuclear cyanamidonitrate-copper(II) complex bridged by imidazolato ligands.
In: Inorganic chemistry communications, 8
Article, Bibliographie

Boca, Roman ; Renz, F. ; Boca, M. ; Fuess, Hartmut ; Haase, Wolfgang ; Kickelbick, G. ; Linert, W. ; Vrbova-Schikora, M. (2005)
Tuning the spin crossover above room temperature : iron(II) complexes of substituted and deprotonated 2,6-bis(benzimidazol-2-yl)pyridine.
In: Inorganic chemistry communications, 8
Article, Bibliographie

Böhm, Michael C. ; Ramirez, R. ; Schulte, J. (2005)
Finite-temperature properties of the muonium substituted ethyl radical CH(2)MuCH(2): nuclear degrees of freedom and hyperfine splitting constants.
In: Molecular Physics, 103
Article, Bibliographie

Böhm, Michael C. ; Schulte, J. (2005)
Direct superconducting pairing : a quantum statistical finite-temperature analysis.
In: Journal of Molecular Structure(Theochem), 722
Article, Bibliographie

Böhm, Michael C. ; Schulte, J. (2005)
Superconducting first-order pairing: Finite-temperature simulations.
In: International Journal of Quantum Chemistry, 101
Article, Bibliographie

Bhosale, S. ; Li, G. T. ; Li, F. T. ; Wang, T. Y. ; Ludwig, R. ; Emmler, T. ; Buntkowsky, G. ; Fuhrhop, J. H. (2005)
Counting of labelled tyrosine molecules in hydrophobic yoctolitre wells filled with water.
In: Chemical Communications, (28)
Article, Bibliographie

Böhm, Michael C. ; Schulte, J. (2004)
Superconducting high-temperature pairing - theoretical considerations on an unusual phenomenon.
In: Physica C, 417
Article, Bibliographie

Bennati, Marina ; Weiden, Norbert ; Dinse, Klaus-Peter ; Hedderich, Reiner (2004)
57Fe ENDOR spectroscopy on the iron-sulfur cluster involved in substrate reduction of heterodisulfide reductase.
In: Journal of the American Chemical Society, 126
Article, Bibliographie

Brickmann, Jürgen ; Borosch, Thorsten ; Albe, Karsten (2004)
Wege zu neuen Einsichten.
In: GIT : Laborfachzeitschrift, 48
Article, Bibliographie

Böhm, Michael C. ; Schulte, J. (2004)
Direct superconducting pairing versus Jahn-Teller distortions; an analysis of a competition.
In: Physica C, 405
Article, Bibliographie

Bonn, Mischa ; Hess, Christian ; Roeterdink, Wim G. ; Ueba, Hiromu ; Wolf, Martin (2004)
Dephasing of vibrationally excited molecules at surfaces: CO/Ru(001).
In: Chemical Physics Letters, 388 (4-6)
doi: 10.1016/j.cplett.2004.03.022
Article, Bibliographie

Boca, Roman ; Gembicky, M. ; Herchel, R. ; Haase, Wolfgang ; Jäger, L. ; Wagner, C. ; Ehrenberg, Helmut ; Fuess, Hartmut (2003)
Ferromagnetism in a dinuclear nickel(II) complex containing triethylenetetramine and tricyanomethanide.
In: Inorganic Chemistry, 42 (22)
doi: 10.1021/ic034725q
Article, Bibliographie

Böhm, Michael C. ; Schulte, Joachim ; Ramírez, Rafael (2002)
On the influence of nuclear fluctuations and calculated NMR shieldings of benzene and ethylene : a Feynman path integral - ab initio investigation.
In: International journal of quantum chemistry, 86
Article, Bibliographie

Böhm, Michael C. ; Schulte, Joachim ; Ramírez, Rafael (2002)
Excited state properties of C 6 H 6 and C 6 D 6 studied by Feynman path integral - ab initio simulations.
In: Journal of physical chemistry A, 106
Article, Bibliographie

Brickmann, Jürgen ; Keil, Matthias ; Exner, Thomas E. (2002)
Fuzzy logic strategies for the treatment of the molecular recognition problem.
In: Reviews in modern quantum chemistry: a celebration of the contributions of Robert G. Paar. Ed.: K.D. Sen, University of Hyderabad, India. - Singapore: World Scientfic Publ., 2002, S. 1735-1766
Article, Bibliographie

Buntkowsky, G. ; Emmler, T. (2002)
NMR data of biological macromolecules.
In: Angewandte Chemie-International Edition, 41 (8)
Article, Bibliographie

Binnemans, Koen ; Deun, R. van ; Görller-Walrand, C. ; Haase, W. ; Bruce, D. W. ; Malykhina, L. ; Galyametdinov, Yu. G. (2001)
Anisotropic molecular magnetic materials based on liquid-crystalline lanthanide complexes.
In: Materials Science and Engineering : C, 18 (1-2)
doi: 10.1016/S0928-4931(01)00369-1
Article, Bibliographie

Brickmann, Jürgen ; Sauer, J. (2001)
Computersimulationsmethoden in der Physikalischen Chemie: große Moleküle, Flüssigkeiten, Festkörper.
In: Bunsenmagazin, 3
Article, Bibliographie

Braun, J. ; Buntkowsky, G. ; Bernarding, J. ; Tolxdorff, T. ; Sack, I. (2001)
Simulation and analysis of magnetic resonance elastography wave images using coupled harmonic oscillators and Gaussian local frequency estimation.
In: Magnetic Resonance Imaging, 19 (5)
Article, Bibliographie

Bonn, Mischa ; Denzler, D. ; Funk, S. ; Hess, Christian ; Wolf, M. ; Ertl, Gerhard (2000)
Dynamik ultraschneller photoinduzierter Oberflächenreaktionen.
Report, Bibliographie

Brickmann, Jürgen ; Exner, T. ; Keil, M. ; Marhöfer, R. J. (2000)
Molecular graphics - trends and perspectives.
In: Journal of molecular modeling, 6
Article, Bibliographie

Bonn, Mischa ; Funk, S. ; Hess, Christian ; Denzler, D. N. ; Stampfl, C. ; Scheffler, M. ; Wolf, M. ; Ertl, Gerhard (1999)
Phonon-versus electron-mediated desorption and oxidation of CO on Ru(001).
In: Science, 285
doi: 10.1126/science.285.5430.1042
Article, Bibliographie

Brickmann, Jürgen ; Exner, T. (1999)
Recognition using fuzzy logic strategies.
Conference or Workshop Item, Bibliographie

Brickmann, Jürgen ; Jäger, R. (1999)
The molecular free energy surface density (MOLFESD) approach for a quantitative treatment of hydrophobicity.
In: Analusius, 27
Article, Bibliographie

Baitinger, Michael ; Peters, K. ; Somer, M. ; Carrillo-Cabrera, W. ; Grin, Yu. ; Kniep, R. ; Schnering, H. G. von (1999)
Crystal structure of tetrarubidium tetrahedro-tetraplumbide, Rb4Pb4 and of tetracaesium tetrahedro-tetraplumbide, Cs4Pb4.
In: Zeitschrift für Kristallographie, 214 (4)
doi: 10.1515/ncrs-1999-0427
Article, Bibliographie

Bodurka, J. ; Buntkowsky, G. ; Gutsze, A. ; Masierak, W. (1999)
NMR study of role of the cross-relaxation effect in the cortex and the nucleus rabbit lens fragments.
In: Colloids and Surfaces a-Physicochemical and Engineering Aspects, 158 (1-2)
Article, Bibliographie

Buntkowsky, G. ; Hoffmann, W. ; Vieth, H. M. (1999)
Optical nuclear polarization for sensitivity enhancement of H-2 NMR single-crystal studies.
In: Applied Magnetic Resonance, 17 (2-3)
Article, Bibliographie

Buntkowsky, G. ; Hoffmann, W. ; Kupka, T. ; Pasterna, G. ; Jaworska, M. ; Vieth, H. M. (1998)
Application of optical nuclear polarization enhanced C-13 NMR.
In: Journal of Physical Chemistry A, 102 (29)
Article, Bibliographie

Brickmann, Jürgen (1997)
Linguistic variables in the molecular recognition problem.
In: Fuzzy logic in chemistry, Edition: San Diego: Acad. Press, 1997
Book Section, Bibliographie

Brickmann, Jürgen (1997)
Modelling and computer simulations of large chemical systems.
In: Chimia. 51 (1997), S. 25-28
Article, Bibliographie

Brickmann, Jürgen (1997)
Guest host interaction: Model scenarios for the understanding of molecular recognition.
In: Pure & applied chemistry. 69 (1997), 1, S. 55-69
Article, Bibliographie

Buntkowsky, G. ; Limbach, H. H. ; Wehrmann, F. ; Sack, I. ; Vieth, H. M. ; Morris, R. H. (1997)
H-2 NMR theory of transition metal dihydrides: Coherent and incoherent quantum dynamics.
In: Journal of Physical Chemistry A, 101 (26)
Article, Bibliographie

Buntkowsky, G. ; Roessler, E. ; Taupitz, M. ; Vieth, H. M. (1997)
Adamantane as a probe for studies of spin clustering with multiple quantum NMR.
In: Journal of Physical Chemistry A, 101 (1)
Article, Bibliographie

Buntkowsky, G. ; Sack, I. ; Limbach, H. H. ; Kling, B. ; Fuhrhop, J. (1997)
Structure elucidation of amide bonds with dipolar chemical shift NMR spectroscopy.
In: Journal of Physical Chemistry B, 101 (51)
Article, Bibliographie

Bodurka, J. ; Buntkowsky, G. ; Gutsze, A. ; Bodurka, M. ; Limbach, H. H. (1996)
Analysis of the H-1 NMR line shape found in animal lenses.
In: Applied Spectroscopy, 50 (11)
Article, Bibliographie

Bodurka, J. ; Buntkowsky, G. ; Gutsze, A. ; Limbach, H. H. (1996)
Evidence of Surface Diffusion of Water Molecules on Proteins of Rabbit Lens by ¹H NMR Relaxation Measurements.
In: Zeitschrift für Naturforschung C, 51 (1-2)
Article, Bibliographie

Bodurka, J. ; Buntkowsky, G. ; Olechnowicz, R. ; Gutsze, A. ; Limbach, H. H. (1996)
Investigation of water in normal and dehydrated rabbit lenses by H-1 NMR and calorimetric measurements.
In: Colloids and Surfaces a-Physicochemical and Engineering Aspects, 115
Article, Bibliographie

Buntkowsky, G. ; Bargon, J. ; Limbach, H. H. (1996)
A dynamic model of reaction pathway effects on parahydrogen-induced nuclear spin polarization.
In: Journal of the American Chemical Society, 118 (36)
Article, Bibliographie

Berkessel, Albrecht ; Bats, Jan W. ; Hübner, Martina ; Haase, Wolfgang ; Neumann, Thomas ; Seidel, Lutz (1995)
Synthesis, x-ray crystal structure and magnetic characterization of the first "Ni3S4N3" nickel thiolate cluster.
In: Chemische Berichte, 128 (2)
doi: 10.1002/cber.19951280207
Article, Bibliographie

Brickmann, Jürgen ; Heiden, ; Vollhardt, ; Zachmann, (1995)
New man-machine communication strategies in molecular modelling.
Conference or Workshop Item, Bibliographie

Brickmann, Jürgen ; Goetze, ; Heiden, ; Moeckel, ; Reiling, ; Vollhardt, ; Zachmann, (1995)
Interactive visualization of molecular scenarios with MOLCAD/SYBYL.
In: Data visualization in molecular science: Tools for insight and innovation, Edition: Reading, Mass.: Addison-Wesley Publ. Comp., 1995
Book Section, Bibliographie

Brickmann, Jürgen ; Vollhardt, (1995)
Modelling and simulations: New tools for the development of drugs and materials.
In: Bilim ve teknik. 329 (1995), S. 29-31
Article, Bibliographie

Brickmann, Jürgen (1995)
Das Darmstädter Zentrum für Wissenschaftliches Rechnen - Stand und Perspektiven.
In: Thema Forschung. 1995, 2, S. 9-11
Article, Bibliographie

Brickmann, Jürgen ; Kast, ; Vollhardt, ; Reiling, (1995)
Trends in molecular dynamics simulation technique.
In: Frontiers of chemical dynamics
Book Section, Bibliographie

Bodurka, J. ; Gutsze, A. ; Buntkowsky, G. ; Limbach, H. H. (1995)
Evidence of Anisotropic Reorientations of Water-Molecules in the Cortex of the Rabbit Lens Detected by H-1-Nmr Spectroscopy.
In: Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, 190
Article, Bibliographie

Buntkowsky, G. ; Stehlik, D. ; Vieth, H. M. ; Salikhov, K. M. (1991)
Nanosecond Time Resolution of Electron-Nuclear Cross Polarization within the Optical Nuclear-Polarization (ONP) Process.
In: Journal of Physics-Condensed Matter, 3 (32)
Article, Bibliographie

Buntkowsky, G. ; Nack, M. ; Stehlik, D. ; Vieth, H. M. (1989)
Optical Nuclear-Spin Polarization (ONP) Studies of Short-Lived Excited Triplet-States in Anthracene-Crystals Doped with Phenazine - Structure and Mechanism of Reversible Photochemical H-Transfer.
In: Israel Journal of Chemistry, 29 (1)
Article, Bibliographie

C

Cayón, Vanina M. ; Laucirica, Gregorio ; Toum Terrones, Yamili ; Cortez, María Lorena ; Pérez-Mitta, Gonzalo ; Shen, Jun ; Hess, Christian ; Toimil-Molares, Maria Eugenia ; Trautmann, Christina ; Marmisollé, Waldemar Alejandro ; Azzaroni, Omar (2021)
Borate-driven ionic rectifiers based on sugar-bearing single nanochannels.
In: Nanoscale, 13 (25)
doi: 10.1039/D0NR07733J
Article, Bibliographie

Chadwick, F. Mark ; Krämer, Tobias ; Gutmann, Torsten ; Rees, Nicholas H. ; Thompson, Amber L. ; Edwards, Alison J. ; Buntkowsky, Gerd ; Macgregor, Stuart A. ; Weller, Andrew S. (2021)
Selective C–H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.
In: Journal of the American Chemical Society, 2016, 138 (40)
doi: 10.26083/tuprints-00018890
Article, Secondary publication, Publisher's Version

Chilukoti, Hari Krishna ; Müller-Plathe, Florian ; Yang, Hua (2018)
Application of Reverse Nonequilibrium Molecular Dynamics to the Calculation of the Mutual Diffusion Coefficient of Alkane Mixtures.
In: The Journal of Physical Chemistry B, 122 (39)
doi: 10.1021/acs.jpcb.8b06886
Article, Bibliographie

Chlosta, Rita ; Tzolova-Müller, Genka ; Schlögl, Robert ; Hess, Christian (2011)
Nature of dispersed vanadium oxide: Influence of silica support structure and synthesis methods.
In: Catalysis Science and Technology, (1 (7))
doi: 10.1039/C1CY00062D
Article, Bibliographie

Cavalleri, M. ; Hermann, K. ; Knop-Gericke, A. ; Hävecker, M. ; Herbert, Rita ; Hess, Christian ; Oestereich, A. ; Döbler, J. ; Schlögl, Robert (2009)
Analysis of silica-supported vanadia by X-ray absorption spectroscopy: Combined theoretical and experimental studies.
In: Journal of Catalysis, 262 (2)
doi: 10.1016/j.jcat.2008.12.013
Article, Bibliographie

Corzilius, B. ; Ramic, E. ; Dinse, Klaus-Peter (2006)
HYSCORE analysis of nitrogen hyperfine interactions.
In: 30, 30
Article, Bibliographie

Corzilius, B. ; Gembus, A. ; Weiden, N. ; Dinse, Klaus-Peter ; Hata, K. (2006)
EPR characterization of catalyst-free SWNT and N@C60-based peapods.
In: physica status solidi (b), 243
Article, Bibliographie

Chen, X. ; Steinhart, M. ; Hess, Christian ; Gösele, U. (2006)
Ordered Arrays of Mesoporous Microrods from Recyclable Macroporous Silicon Templates.
In: Advanced Materials, 18 (16)
doi: 10.1002/adma.200600365
Article, Bibliographie

Corzilius, B. ; Gembus, A. ; Dinse, Klaus-Peter ; Simon, F. ; Kuzmany, H. (2005)
Carbon nanotubes investigated by Na@C60 and Na@C70 spin probes.
Conference or Workshop Item, Bibliographie

Corzilius, B. ; Gembus, A. ; Weiden, N. ; Dinse, Klaus-Peter ; Simon, F. ; Kuzmany, H. (2005)
Preparation and EPR characterization of N@C60 and N@C70 based peapods.
Conference or Workshop Item, Bibliographie

Can, Hatice ; Zahn, Dirk ; Balci, Metin ; Brickmann, Jürgen (2003)
The influence of heteroatoms on the extent of double bond pyramidalization.
In: European Journal of Organic Chemistry
Article, Bibliographie

D

Dietrich, Felix ; Ni, Fan ; Fulanović, Lovro ; Zhou, Xiandong ; Isaia, Daniel ; Groszewicz, Pedro B. ; Zhang, Chunlin ; Xu, Bai-Xiang ; Rödel, Jürgen ; Buntkowsky, Gerd ; Zhuo, Fangping (2024)
Effect of temperature on dislocation-tuned dielectricity and piezoelectricity in single-crystal BaTiO3.
In: Applied Physics Letters, 124
doi: 10.1063/5.0191394
Article, Bibliographie

Döller, Sonja Carina (2024)
Studies on Confined Guest Molecules by ²H and DNP enhanced ¹³C solid-state NMR.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00026581
Ph.D. Thesis, Primary publication, Publisher's Version

Ding, Hui ; Egert, Sonja ; Huang, Binxiang ; Jiang, Tianshu ; Carstensen, Leif ; Šić, Edina ; Liu, Yucheng ; Yang, Tongqing ; Groszewicz, Pedro Braga ; Kleebe, Hans-Joachim ; Klein, Andreas ; Molina-Luna, Leopoldo ; Buntkowsky, Gerd (2023)
Probing cation displacements in antiferroelectrics: a joint NMR and TEM approach.
In: Chemistry of Materials, 35 (23)
doi: 10.1021/acs.chemmater.3c02045
Article, Bibliographie

Del Rosal, I. ; Gutmann, T. ; Walaszek, B. ; Gerber, I. C. ; Chaudret, B. ; Limbach, H. H. ; Buntkowsky, G. ; Poteau, R. (2011)
H-2 NMR calculations on polynuclear transition metal complexes: on the influence of local symmetry and other factors.
In: Physical Chemistry Chemical Physics, 13 (45)
Article, Bibliographie

Dinse, Arne ; Khennache, Sonia ; Frank, Benjamin ; Hess, Christian ; Herbert, Rita ; Wrabetz, Sabine ; Schlögl, Robert ; Schomäcker, Reinhard (2009)
Oxidative dehydrogenation of propane on silica (SBA-15) supported vanadia catalysts: A kinetic investigation.
In: Journal of Molecular Catalysis A: Chemical, 307 (1-2)
doi: 10.1016/j.molcata.2009.03.008
Article, Bibliographie

Del Rosal, I. ; Gutmann, T. ; Maron, L. ; Jolibois, F. ; Chaudret, B. ; Walaszek, B. ; Limbach, H. H. ; Poteau, R. ; Buntkowsky, G. (2009)
DFT (2)H quadrupolar coupling constants of ruthenium complexes: a good probe of the coordination of hydrides in conjuction with experiments.
In: Physical Chemistry Chemical Physics, 11 (27)
Article, Bibliographie

Dinse, Arne ; Frank, Benjamin ; Hess, Christian ; Habel, Daniela ; Schomäcker, Reinhard (2008)
Oxidative dehydrogenation of propane over low-loaded vanadia catalysts: Impact of the support material on kinetics and selectivity.
In: Journal of Molecular Catalysis A: Chemical, 289 (1-2)
doi: 10.1016/j.molcata.2008.04.007
Article, Bibliographie

Dinse, Arne ; Ozarowski, Andrzej ; Hess, Christian ; Schomäcker, Reinhard ; Dinse, Klaus-Peter (2008)
Potential of High-Frequency EPR for Investigation of Supported Vanadium Oxide Catalysts.
In: Journal of Physical Chemistry C, 112 (45)
doi: 10.1021/jp807159f
Article, Bibliographie

Dannhäuser, J. ; Donaubauer, W. ; Hampel, F. ; Reiher, M. ; Le Guennic, B. ; Corzilius, B. ; Dinse, Klaus-Peter ; Hirsch, A. (2006)
sigma-Donor and pi-Acceptor Stacking Interactions in a trans-2-Linked C60-Cobalt(II) Tetraphenylporphyrin Diad.
In: Angewandte Chemie International Edition, 45
Article, Bibliographie

Dinse, Klaus-Peter ; Kato, T. (2006)
Multi-frequency EPR study of metallo-endofullerenes.
In: Novel NMR and EPR techniques / edited by Janez Dolin¼ek, Marija Vilfan, Slobodan Äumer. - Berlin, Heidelberg : Springer, 2006, S. 185-207 (Lecture Notes in Physics ; 684) ISBN 978-3-540-32626-7
Article, Bibliographie

Donald, K. J. ; Böhm, Michael C. ; Lindner, J. J. (2005)
Analysis of competing bonding parameters. Part 2. The structure of halosilanes and halogrermanes (MH4-nXn, n=1-4; M = Si, Ge; X = F, Cl, Br).
In: Journal of Molelcular Structure (Theochem), 713
Article, Bibliographie

Dinse, Klaus-Peter ; Kato, T. (2004)
What is special about endofullerenes?
Conference or Workshop Item, Bibliographie

Donald, K. J. ; Böhm, Michael C. ; Lindner, H. J. (2004)
Analysis of competing bonding parameters. Part 1. The structure of halomethanes (CH4-nXn, n=1-4, X = F, Cl, Br).
In: Journal of Molecular Structure Theochem, 710
Article, Bibliographie

Denzler, D. N. ; Hess, Christian ; Dudeck, R. ; Wagner, M. ; Frischkorn, C. ; Wolf, M. ; Ertl, Gerhard (2003)
Interfacial structure of water on Ru(001) investigated by vibrational spectroscopy.
In: Chemical Physics Letters, 376 (5-6)
doi: 10.1016/S0009-2614(03)01016-9
Article, Bibliographie

Denzler, D. N. ; Hess, Christian ; Funk, S. ; Ertl, Gerhard ; Bonn, M. ; Frischkorn, C. ; Wolf, M.
ed.: Douhal, Abderrazzak (2002)
Surface femtochemistry: Ultrafast reaction dynamics driven by hot electron mediated reaction pathways.
In: Femtochemistry and Femtobiology: Ultrafast Dynamics in Molecular Science
doi: 10.1142/9789812777980_0063
Book Section, Bibliographie

Dinse, Klaus-Peter (2002)
EPR investigation of atoms in chemical traps.
In: Physical chemistry, chemical physics (PCCP), 4
Article, Bibliographie

Dinse, Klaus-Peter ; Päch, M. ; Weiden, Norbert (2001)
EPR investigation of hydrogen atoms in silsesquioxane cages.
Conference or Workshop Item, Bibliographie

Dinse, Klaus-Peter (2000)
EPR investigation of atoms in chemical traps.
In: Carbon, 38 (11-12)
doi: 10.1016/S0008-6223(00)00092-0
Article, Bibliographie

Dinse, Klaus-Peter ; Weiden, N. ; Goedde, B. ; Jakes, P. ; Waiblinger, M. ; Weidinger, A. (2000)
Squeezing and shielding of atoms in fullerene traps.
Conference or Workshop Item, Bibliographie

Dinse, Klaus-Peter (2000)
FT-EPR and pulsed ENDOR studies of encapsulated atoms and ions.
In: Electron paramagnetic resonance, 17
doi: 10.1039/9781847553546-00078
Article, Bibliographie

Dietel, Elke ; Hirsch, A. ; Pietzak, B. ; Waiblinger, M. ; Lips, K. ; Weidinger, A. ; Gruss, A. ; Dinse, Klaus-Peter (1999)
Atomic nitrogen encapsulated in fullerenes: effects of cage variations.
In: Journal of the American Chemical Society, 121
Article, Bibliographie

Dinse, Klaus-Peter ; Käß, H. ; Weiden, N. ; Knapp, C. (1999)
EPR investigations of atoms in fullerene traps.
Conference or Workshop Item, Bibliographie

Dlhán, Lubor ; Boca, Roman ; Ehrenberg, Helmut ; Fuess, Hartmut ; Haase, Wolfgang (1999)
Ligand sphere enhanced magnetic anisotropy in pentacoordinate cobalt(II) and manganese(II) complexes.
In: Coordination chemistry at the turn of the century
Book Section, Bibliographie

Dufner, H. ; Schlenkrich, ; Kast, Stefan Michael ; Brickmann, J. (1997)
Ewald summation versus direct summation of shifted-force potentials for the calculation of electrostatic interactions in solids: a quantitative study.
In: Journal of computational chemistry. 18 (1997), S. 660-676
Article, Bibliographie

Dvinskikh, S. V. ; Buntkowsky, G. ; Salikhov, K. M. ; Vieth, H. M. (1997)
Low and zero field stimulated nuclear polarization in cyclic ketones.
In: Chemical Physics Letters, 268 (5-6)
Article, Bibliographie

E

Eslami, Hossein ; Müller‐Plathe, Florian (2024)
Self‐assembly pathways of triblock Janus particles into 3D open lattices.
In: Small : nano micro, 20 (14)
doi: 10.1002/smll.202306337
Article, Bibliographie

Enders, Matthias (2023)
Parallele Infrarotspektroskopie und Gravimetrie zur Entwicklung eines optischen Füllstandssensors für Metallhydrid-Wasserstofftanks mit NaAlH4.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00023298
Ph.D. Thesis, Primary publication, Publisher's Version

Eills, J. ; Cavallari, E. ; Kircher, R. ; Di Matteo, G. ; Carrera, C. ; Dagys, L. ; Levitt, M. H. ; Ivanov, K. L. ; Aime, S. ; Reineri, F. ; Münnemann, K. ; Budker, D. ; Buntkowsky, Gerd ; Knecht, S. (2022)
Singlet-Contrast Magnetic Resonance Imaging: Unlocking Hyperpolarization with Metabolism.
In: Angewandte Chemie, 2021, 133 (12)
doi: 10.26083/tuprints-00020296
Article, Secondary publication, Publisher's Version

Egert, Sonja (2022)
Local Structure-Property Relations in Antiferroelectric Oxides.
Technische Universität Darmstadt
Ph.D. Thesis, Bibliographie

Elger, Ann-Kathrin (2021)
Zinndioxid und Cerdioxid als Ethanol-Gassensoren : Synthese, Charakterisierung und operando-Spektroskopie.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00017857
Ph.D. Thesis, Primary publication, Publisher's Version

Elger, Ann-Kathrin ; Hess, Christian (2019)
Application of Raman Spectroscopy to Working Gas Sensors: From in situ to operando Studies.
In: Sensors, 19 (23)
doi: 10.3390/s19235075
Article, Bibliographie

Elger, Ann-Kathrin ; Hess, Christian (2019)
Aufklärung des Mechanismus von SnO2-Gassensoren unter Betriebsbedingungen mittels kombinierter operando-UV-Vis-, Raman- und IR-Spektroskopie.
In: Angewandte Chemie, 131 (42)
doi: 10.1002/ange.201908871
Article, Bibliographie

Elger, Ann-Kathrin ; Hess, Christian (2019)
Elucidating the Mechanism of Working SnO2 Gas Sensors Using Combined Operando UV/Vis, Raman, and IR Spectroscopy.
In: Angewandte Chemie International Edition, 58 (42)
doi: 10.1002/anie.201908871
Article, Bibliographie

Elger, Ann-Kathrin ; Baranyai, Julian ; Hofmann, Kathrin ; Hess, Christian (2019)
Direct Operando Spectroscopic Observation of Oxygen Vacancies in Working Ceria-Based Gas Sensors.
In: ACS Sensors, 4 (6)
doi: 10.1021/acssensors.9b00521
Article, Bibliographie

Eslami, Hossein ; Sedaghat, Parvin ; Müller-Plathe, Florian (2018)
Local bond order parameters for accurate determination of crystal structures in two and three dimensions.
In: Physical Chemistry Chemical Physics, 20 (42)
doi: 10.1039/c8cp05248d
Article, Bibliographie

Elger, Benjamin (2017)
Größenabhängige katalytische Aktivität geträgerter Metallcluster kombiniert mit elektrostatischen Molekularstrahlsimulationen.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Elger, Benjamin ; Schmidt, Torben ; Krähling, Stephan ; Neuberger, Florian ; Schäfer, Rolf (2017)
Electrostatic simulation of a complete cluster deposition apparatus based on and compared to experimental results.
In: Review of Scientific Instruments, 88 (6)
Article, Bibliographie

Empting, M. ; Avrutina, O. ; Meusinger, R. ; Fabritz, S. ; Reinwarth, M. ; Biesalski, M. ; Voigt, S. ; Buntkowsky, G. ; Kolmar, H. (2011)
"Triazole Bridge": Disulfide-Bond Replacement by Ruthenium-Catalyzed Formation of 1,5-Disubstituted 1,2,3-Triazoles.
In: Angewandte Chemie-International Edition, 50 (22)
Article, Bibliographie

Emmler, T. ; Ayala, I. ; Silverman, D. ; Hafner, S. ; Galstyan, A. S. ; Knapp, E. W. ; Buntkowsky, G. (2008)
Combined NMR and computational study for azide binding to human manganese superoxide dismutase.
In: Solid State Nuclear Magnetic Resonance, 34 (1-2)
Article, Bibliographie

Ehrenberg, H. ; Laubach, S. ; Schmidt, P. C. ; McSweeney, R. ; Knapp, M. ; Mishra, K. C. (2006)
Investigation of crystal structure and associated electronic structure of Sr6BP5O20.
In: Journal of Solid State Chemistry, 179
Article, Bibliographie

Emmler, T. ; Tsetsgee, O. ; Buntkowsky, G. ; Weinmann, M. ; Aldinger, F. ; Muller, K. (2006)
B-11N-15 redor and B-11 spin echo studies for structural characterization of Si-B-C-N precursor ceramics.
In: Soft Materials, 4 (2-4)
Article, Bibliographie

Eichel, Rüdiger-A. ; Meštrić, Hrvoje ; Dinse, Klaus-Peter ; Ozarowski, Andrew ; Van Tol, Johan ; Brunel, Louis Claude ; Kungl, Hans ; Hoffmann, Michael J. (2005)
High-field/high-frequency EPR of paramagnetic functional centers in Cu2+- and Fe3+-modified polycrystalline Pb[ZrxTi1−x]O3 ferroelectrics.
In: Magnetic Resonance in Chemistry, 43 (S1)
doi: 10.1002/mrc.1696
Article, Bibliographie

Eichel, Rüdiger-A. ; Dinse, Klaus-Peter ; Kungl, Hans ; Hoffmann, Michael J. ; Ozarowski, Andrew ; Van Tol, Johan ; Brunel, Louis Claude (2005)
Exploring the morphotropic phase boundary in copper(II)-modified Pb[Zr0.54Ti0.46]O3 ferroelectrics.
In: Applied Physics A, 80 (1)
Article, Bibliographie

Emmler, T. ; Gieschler, S. ; Limbach, H. H. ; Buntkowsky, G. (2004)
A simple method for the characterization of OHO-hydrogen bonds by H-1-solid state NMR spectroscopy.
In: Journal of Molecular Structure, 700 (1-3)
Article, Bibliographie

Exner, Thomas E. ; Keil, Matthias ; Brickmann, Jürgen (2003)
Fuzy set theory and fuzzy logic and its application to molecular recognition.
In: Handbook of Chemoinformatics : from data to knowledge in 4 volumes; Teil 3
Book Section, Bibliographie

Exner, Thomas E. ; Keil, Matthias ; Brickmann, Jürgen (2002)
Pattern regonition strategies for molecular surfaces. II: Surface complementarity.
In: Journal of computational chemistry, 23
Article, Bibliographie

Exner, Thomas E. ; Keil, Matthias ; Brickmann, Jürgen (2002)
Pattern recognition strategies for molecular surfaces. I: Pattern generation using fuzzy set theory.
In: Journal of computational chemistry, 23
Article, Bibliographie

F

Folberth, Angelina (2022)
On the Influence of Trimethylamine-N-oxide (TMAO) and Pressure on Hydrophobic Interactions.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00022562
Ph.D. Thesis, Primary publication, Publisher's Version

Fleckenstein, Max ; Herr, Kevin Sebastian ; Theiß, Franziska ; Knecht, Stephan ; Wienands, Laura ; Brodrecht, Martin ; Reggelin, Michael ; Buntkowsky, Gerd (2022)
A disintegrin derivative as a case study for PHIP labeling of disulfide bridged biomolecules.
In: Scientific Reports, 12
doi: 10.1038/s41598-022-06327-z
Article, Bibliographie

Filtschew, Anastasia ; Beato, Pablo ; Rasmussen, Søren Birk ; Hess, Christian (2021)
The role of platinum on the NOx storage and desorption behavior of ceria: An online FT-IR study combined with in situ Raman and UV-Vis spectroscopy.
In: Physical Chemistry Chemical Physics, 23 (3)
doi: 10.1039/D0CP05800A
Article, Bibliographie

Fuchs, Thomas Michael (2021)
Spindynamik dotierter Zinncluster im Molekularstrahl.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00019373
Ph.D. Thesis, Primary publication, Publisher's Version

Filtschew, Anastasia (2018)
Ceroxid-haltige Materialien als passive NOx-Adsorber: methodische Weiterentwicklungen und in situ-Untersuchungen des NOx-Einspeichermechanismus.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Filtschew, Anastasia ; Hess, Christian (2018)
Unravelling the mechanism of NO and NO 2 storage in ceria: The role of defects and Ce-O surface sites.
In: Applied Catalysis B: Environmental, 237
doi: 10.1016/j.apcatb.2018.06.058
Article, Bibliographie

Filtschew, Anastasia ; Hess, Christian (2017)
Interpretation of Raman Spectra of Oxide Materials: The Relevance of Absorption Effects.
In: The Journal of Physical Chemistry C, 121 (35)
doi: 10.1021/acs.jpcc.7b06105
Article, Bibliographie

Filtschew, Anastasia ; Hofmann, Kathrin ; Hess, Christian (2016)
Ceria and Its Defect Structure: New Insights from a Combined Spectroscopic Approach.
In: The Journal of Physical Chemistry C, 120 (12)
doi: 10.1021/acs.jpcc.6b00959
Article, Bibliographie

Filtschew, Anastasia ; Stranz, Dominic ; Hess, Christian (2013)
Mechanism of NO2 storage in ceria studied by combined in situ Raman/FT-IR spectroscopy.
In: Physical Chemistry Chemical Physics, 15
doi: 10.1039/C3CP51441B
Article, Bibliographie

Farah, Karim Frédéric (2011)
Interphase Formation During Curing Simulated by Reactive Molecular Dynamics.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Fenn, A. ; Wächtler, M. ; Breitzke, H. ; Buchholz, A. ; Lippold, I. ; Plass, W. ; Buntkowsky, G. (2011)
A simple method for analyzing V-51 solid-state NMR spectra of complex systems.
In: Solid State Nuclear Magnetic Resonance, 40 (2)
Article, Bibliographie

Frydel, J. A. ; Krzystyniak, M. ; Pienkowski, D. ; Pietrzak, M. ; Amadeu, N. D. ; Ratajczyk, T. ; Idzik, K. ; Gutmann, T. ; Tietze, D. ; Voigt, S. ; Fenn, A. ; Limbach, H. H. ; Buntkowsky, G. (2011)
Efficient design of multituned transmission line NMR probes: The electrical engineering approach.
In: Solid State Nuclear Magnetic Resonance, 39 (3-4)
Article, Bibliographie

Frank, B. ; Fortrie, R. ; Hess, Christian ; Schlögl, Robert ; Schomäcker, R. (2009)
Reoxidation dynamics of highly dispersed VOx species supported on γ-alumina.
In: Applied Catalysis A: General, 353 (2)
doi: 10.1016/j.apcata.2008.11.002
Article, Bibliographie

Fenn, A. ; Wächtler, M. ; Gutmann, T. ; Breitzke, H. ; Buchholz, A. ; Lippold, I. ; Plass, W. ; Buntkowsky, G. (2009)
Correlations between V-51 solid-state NMR parameters and chemical structure of vanadium (V) complexes as models for related metalloproteins and catalysts.
In: Solid State Nuclear Magnetic Resonance, 36 (4)
Article, Bibliographie

Febles, M. ; Perez-Hernandez, N. ; Perez, C. ; Rodriguez, M. L. ; Foces-Foces, C. ; Roux, M. V. ; Morales, E. Q. ; Buntkowsky, G. ; Limbach, H. H. ; Martin, J. D. (2006)
Distinct dynamic behaviors of water molecules in hydrated pores.
In: Journal of the American Chemical Society, 128 (31)
Article, Bibliographie

Frydel, J. ; Pienkowski, D. ; Dobrowolski, A. ; Buntkowsky, G. (2006)
Comparison of Theoretically Simulated and Experimental Scattering Matrix Parameters in a Five Port Transmission Line Frequency Multiplexer for Solid State Nuclear Magnetic Resonance Techniques.
In: Proceedings Mikon '2006, IEEE catalog no. 06EX1319
Article, Bibliographie

Frischkorn, C. ; Wolf, M. ; Denzler, D. N. ; Hess, Christian ; Ertl, Gerhard
eds.: Miller, Dwayne R. ; Murnane, Margaret M. ; Scherer, Norbert F. ; Weiner, Andrew M. (2002)
Ultrafast dynamics of recombinative desorption of hydrogen from a Ru(001) surface: Evidence for a collective mechanism from isotope effects.
13th International Conference on Ultrafast Phenomena. Vancouver, CA (12. - 17.05.2002)
Conference or Workshop Item, Bibliographie

Facey, G. ; Gusev, D. ; Morris, R. H. ; Macholl, S. ; Buntkowsky, G. (2000)
H-2 MAS NMR of strongly dipolar coupled deuterium pairs in transition metal dihydrides: extracting dipolar coupling and quadrupolar tensor orientations from the lineshape of spinning sidebands.
In: Physical Chemistry Chemical Physics, 2 (5)
Article, Bibliographie

G

Groszewicz, Pedro B. ; Gröting, Melanie ; Breitzke, Hergen ; Jo, Wook ; Albe, Karsten ; Buntkowsky, Gerd ; Rödel, Jürgen (2023)
Reconciling Local Structure Disorder and the Relaxor State in (Bi1/2Na1/2)TiO3-BaTiO3.
In: Scientific Reports, 2016, 6 (1)
doi: 10.26083/tuprints-00018896
Article, Secondary publication, Publisher's Version

Gippius, Andrei Andreevich ; Morozova, E. N. ; Antipov, Evgeny V. ; Abakumov, A. M. ; Rozova, M. G. ; Lüders, Klaus ; Hoffmann, W. ; Buntkowsky, Gerd ; Klein, Oliver (2023)
Magnetic flux dynamics and structural features in fluorinated HgBa₂CuO₄ as probed by ¹⁹F NMR.
In: Physical Review B, 2000, 61 (21)
doi: 10.26083/tuprints-00024239
Article, Secondary publication, Publisher's Version

Gippius, Andrei Andreevich ; Antipov, Evgeny V. ; Hoffmann, W. ; Lüders, Klaus ; Buntkowsky, Gerd (2023)
Low-frequency spin dynamics as probed by ⁶³Cu and ¹⁹⁹Hg NMR in HgBa₂CuO₄₊δ superconductors with different oxygen content.
In: Physical Review B, 1999, 59 (1)
doi: 10.26083/tuprints-00024240
Article, Secondary publication, Publisher's Version

Groszewicz, Pedro B. ; Breitzke, Hergen ; Dittmer, Robert ; Sapper, Eva ; Jo, Wook ; Buntkowsky, Gerd ; Rödel, Jürgen (2023)
Nanoscale phase quantification in lead-free (Bi1/2Na1/2)TiO₃-BaTiO₃ relaxor ferroelectrics by means of ²³Na NMR.
In: Physical Review B, 2014, 90 (22)
doi: 10.26083/tuprints-00024238
Article, Secondary publication, Publisher's Version

Gutsze, Aleksander ; Bodurka, Jerzy ; Olechnowicz, Robert ; Buntkowsky, Gerd ; Limbach, Hans-Heinrich (2022)
¹H NMR and Calorimetric Measurements on Rabbit Eye Lenses.
In: Zeitschrift für Naturforschung C, 1995, 50 (5-6)
doi: 10.26083/tuprints-00018893
Article, Secondary publication, Publisher's Version

Groszewicz, Pedro Braga ; Breitzke, Hergen ; Jo, Wook ; Rödel, Jürgen ; Buntkowsky, Gerd (2022)
Local structure of the B-site in BNT-xBT investigated by 47,49Ti NMR: Effect of barium content.
In: Journal of Applied Physics, 2017, 121 (11)
doi: 10.26083/tuprints-00019735
Article, Secondary publication, Publisher's Version

Garcia Rondina, Gustavo (2022)
Excess Entropy and Dynamics in Coarse-Grained Models.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00021221
Ph.D. Thesis, Primary publication, Publisher's Version

Gutmann, Torsten ; Schweitzer, Annika ; Wächtler, Maria ; Breitzke, Hergen ; Buchholz, Axel ; Plass, Winfried ; Buntkowsky, Gerd (2021)
DFT Calculations of ⁵¹V Solid-State NMR Parameters of Vanadium(V) Model Complexes.
In: Zeitschrift für Physikalische Chemie, 2008, 222 (8-9)
doi: 10.26083/tuprints-00019688
Article, Secondary publication, Publisher's Version

Grünberg, Anna ; Gutmann, Torsten ; Rothermel, Niels ; Yeping, Xu ; Breitzke, Hergen ; Buntkowsky, Gerd (2021)
Immobilization and Characterization of RuCl₂(PPh₃)₃ Mesoporous Silica SBA-3.
In: Zeitschrift für Physikalische Chemie, 2013, 227 (6-7)
doi: 10.26083/tuprints-00019685
Article, Secondary publication, Publisher's Version

Gutmann, Torsten ; Alkhagani, Safaa ; Rothermel, Niels ; Limbach, Hans-Heinrich ; Breitzke, Hergen ; Buntkowsky, Gerd (2021)
³¹P-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts.
In: Zeitschrift für Physikalische Chemie, 2017, 231 (3)
doi: 10.26083/tuprints-00019695
Article, Secondary publication, Publisher's Version

Groszewicz, Pedro B. ; Koch, Leonie ; Steiner, Sebastian ; Ayrikyan, Azatuhi ; Webber, Kyle G. ; Frömling, Till ; Albe, Karsten ; Buntkowsky, Gerd (2020)
The fate of aluminium in (Na,Bi)TiO3-based ionic conductors.
In: Journal of Materials Chemistry A, 8 (35)
doi: 10.1039/D0TA03554H
Article, Bibliographie

Gleditzsch, Martin (2020)
Dotierung von nanoskaligen Zinn-Clustern: Molekularstrahlexperimente und Dichtefunktionaltheorie.
Technische Universität Darmstadt
doi: 10.25534/tuprints-00012141
Ph.D. Thesis, Primary publication

Gutmann, Torsten (2018)
Solid-state NMR and dynamic nuclear polarization for surface characterization of functional materials and catalysts.
Habilitation, Bibliographie

Graczyk-Zajac, Magdalena ; Vrankovic, Dragoljub ; Waleska, Philipp ; Hess, Christian ; Vallachira Sasikumar, Pradeep ; Lauterbach, Stefan ; Kleebe, Hans-Joachim ; Soraru, Gian Domenico (2018)
The Li-storage Capacity of SiOC Glasses with and without Mixed Silicon Oxycarbide Bonds.
In: Journal of Materials Chemistry A, 6 (1)
doi: 10.1039/C7TA09236A
Article, Bibliographie

Groszewicz, Pedro B. ; Gröting, Melanie ; Breitzke, Hergen ; Jo, Wook ; Albe, Karsten ; Buntkowsky, Gerd ; Rödel, Jürgen (2016)
Reconciling Local Structure Disorder and the Relaxor State in (Bi1/2Na1/2)TiO3-BaTiO3.
In: Scientific Reports, 6
doi: 10.1038/srep31739
Article, Bibliographie

Götz, Daniel Alexander ; Shayeghi, Armin ; Johnston, Roy ; Schwerdtfeger, Peter ; Schäfer, Rolf (2016)
Structural evolution and metallicity of lead clusters.
In: Nanoscale, (8)
Article, Bibliographie

Götz, Daniel Alexander (2016)
Die Entwicklung dielektrischer Eigenschaften in Metall- und Halbleiterclustern.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Gross, Toni André ; Hess, Christian (2014)
Raman diagnostics of LiCoO2 electrodes for lithium-ion batteries.
In: Journal of Power Sources, 256
doi: 10.1016/j.jpowsour.2014.01.084
Article, Bibliographie

Ganguly, Pritam (2014)
Modeling and Understanding Aqueous Mixtures Using Kirkwood-Buff Theory of Solutions.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Gross, Toni ; Hess, Christian (2014)
Spatially-Resolved In Situ Raman Analysis of LiCoO2 Electrodes.
In: ECS transactions, 63 (1)
Article, Bibliographie

Gross, Toni André ; Giebeler, Lars ; Hess, Christian (2013)
Novel in situ cell for Raman diagnostics of lithium-ion batteries.
In: Review of Scientific Instruments, 84 (7)
doi: 10.1063/1.4813263
Article, Bibliographie

Grünberg, A. ; Gutmann, T. ; Rothermel, N. ; Xu, Y. P. ; Breitzke, H. ; Buntkowsky, G. (2013)
Immobilization and Characterization of RuCl2(PPh3)(3) Mesoporous Silica SBA-3.
In: Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, 227 (6-7)
Article, Bibliographie

Grünberg, B. ; Grünberg, A. ; Limbach, H. H. ; Buntkowsky, G. (2013)
Melting of Naphthalene Confined in Mesoporous Silica MCM-41.
In: Applied Magnetic Resonance, 44 (1-2)
Article, Bibliographie

Gutmann, T. ; Bonnefille, E. ; Breitzke, H. ; Debouttiere, P. J. ; Philippot, K. ; Poteau, R. ; Buntkowsky, G. ; Chaudret, B. (2013)
Investigation of the surface chemistry of phosphine-stabilized ruthenium nanoparticles - an advanced solid-state NMR study.
In: Physical Chemistry Chemical Physics, 15 (40)
Article, Bibliographie

Gutmann, T. ; Del Rosal, I. ; Chaudret, B. ; Poteau, R. ; Limbach, H. H. ; Buntkowsky, G. (2013)
From Molecular Complexes to Complex Metallic Nanostructures-H-2 Solid-State NMR Studies of Ruthenium-Containing Hydrogenation Catalysts.
In: Chemphyschem, 14 (13)
Article, Bibliographie

Gutmann, T. ; Grünberg, A. ; Rothermel, N. ; Werner, M. ; Srour, M. ; Abdulhussain, S. ; Tan, S. L. ; Xu, Y. P. ; Breitzke, H. ; Buntkowsky, G. (2013)
Solid-state NMR concepts for the investigation of supported transition metal catalysts and nanoparticles.
In: Solid State Nuclear Magnetic Resonance, 55-56
Article, Bibliographie

Guenther, Gerrit (2012)
Size-dependent High-Temperature Behavior of Bismuth Oxide Nanoparticles.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Ghanbari, Azadeh (2012)
Coarse-Grained Molecular Dynamics Simulation of Silica-Polystyrene Nanocomposite.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Gutmann, T. ; Ratajczyk, T. ; Dillenberger, S. ; Xu, Y. P. ; Grünberg, A. ; Breitzke, H. ; Bornmerich, U. ; Trantzschel, T. ; Bernarding, J. ; Buntkowsky, G. (2011)
New investigations of technical rhodium and iridium catalysts in homogeneous phase employing para-hydrogen induced polarization.
In: Solid State Nuclear Magnetic Resonance, 40 (2)
Article, Bibliographie

Grünberg, A. ; Xu, Y. P. ; Breitzke, H. ; Buntkowsky, G. (2010)
Solid-State NMR Characterization of Wilkinson's Catalyst Immobilized in Mesoporous SBA-3 Silica.
In: Chemistry-a European Journal, 16 (23)
Article, Bibliographie

Gutmann, T. ; Ratajczyk, T. ; Xu, Y. P. ; Breitzke, H. ; Grünberg, A. ; Dillenberger, S. ; Bommerich, U. ; Trantzschel, T. ; Bernarding, J. ; Buntkowsky, G. (2010)
Understanding the leaching properties of heterogenized catalysts: A combined solid-state and PHIP NMR study.
In: Solid State Nuclear Magnetic Resonance, 38 (4)
Article, Bibliographie

Gutmann, T. ; Walaszek, B. ; Xu, Y. P. ; Wächtler, M. ; Del Rosal, I. ; Grünberg, A. ; Poteau, R. ; Axet, R. ; Lavigne, G. ; Chaudret, B. ; Limbach, H. H. ; Buntkowsky, G. (2010)
Hydrido-Ruthenium Cluster Complexes as Models for Reactive Surface Hydrogen Species of Ruthenium Nanoparticles. Solid-State H-2 NMR and Quantum Chemical Calculations.
In: Journal of the American Chemical Society, 132 (33)
doi: 10.1021/ja104229a
Article, Bibliographie

Gutmann, T. ; Sellin, M. ; Breitzke, H. ; Stark, A. ; Buntkowsky, G. (2009)
Para-hydrogen induced polarization in homogeneous phase-an example of how ionic liquids affect homogenization and thus activation of catalysts.
In: Physical Chemistry Chemical Physics, 11 (40)
Article, Bibliographie

Gaube, Johann ; David, Walter ; Sanchayan, Ragunathan ; Roy, Sudip ; Müller-Plathe, Florian (2008)
Selective hydrogenation of 1,5,9-cyclo-dodecatriene towards cyclo-dodecene.
In: Applied Catalysis A: General, 343 (1-2)
doi: 10.1016/j.apcata.2008.03.025
Article, Bibliographie

Garcia-Anton, J. ; Axet, M. R. ; Jansat, S. ; Philippot, K. ; Chaudret, B. ; Pery, T. ; Buntkowsky, G. ; Limbach, H. H. (2008)
Reactions of olefins with ruthenium hydride nanoparticles: NMR characterization, hydride titration, and room-temperature C-C bond activation.
In: Angewandte Chemie-International Edition, 47 (11)
Article, Bibliographie

Gedat, E. ; Buntkowsky, G. ; Braun, J. (2008)
Diffusive diffraction observed with volume-selective STEAM MRS in 100 mu m water-filled capillaries.
In: Solid State Nuclear Magnetic Resonance, 34 (1-2)
Article, Bibliographie

Gutmann, T. ; Schweitzer, A. ; Wächtler, M. ; Breitzke, H. ; Blichholz, A. ; Plass, W. ; Buntkowsky, G. (2008)
DFT Calculations of (51)V Solid-State NMR Parameters of Vanadium(V) Model Complexes.
In: Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, 222 (8-9)
Article, Bibliographie

Gembus, Armin ; Corzilius, Björn ; Eichel, Rüdiger-A. ; Dinse, Klaus-Peter ; Immel, Stefan ; Stumm, Dominik ; Flauaus, Manuela ; Plenio, Herbert (2006)
Electron paramagnetic resonance structure investigation of copper complexation in a hemicarcerand.
In: Journal of Physical Chemistry B, 110
Article, Bibliographie

Gembus, A. ; Simon, F. ; Janossy, A. ; Kuzmany, H. ; Dinse, Klaus-Peter (2004)
Properties of N@C60-derived peapods.
Conference or Workshop Item, Bibliographie

Grünberg, B. ; Emmler, T. ; Gedat, E. ; Shenderovich, I. ; Findenegg, G. H. ; Limbach, H. H. ; Buntkowsky, G. (2004)
Hydrogen bonding of water confined in mesoporous silica MCM-41 and SBA-15 studied by H-1 solid-state NMR.
In: Chemistry-a European Journal, 10 (22)
Article, Bibliographie

Gudowska-Nowak, Ewa ; Kamínska, Agnieszka ; Papp, Gábor ; Brickmann, Jürgen (2003)
Free random variables and molecular spectra.
In: Physica A, 325
Article, Bibliographie

Gedat, E. ; Schreiber, A. ; Albrecht, J. ; Emmler, T. ; Shenderovich, I. ; Findenegg, G. H. ; Limbach, H. H. ; Buntkowsky, G. (2002)
H-2-solid-state NMR study of benzene-d(6) confined in mesoporous silica SBA-15.
In: Journal of Physical Chemistry B, 106 (8)
Article, Bibliographie

Goedde, Burkart ; Jakes, Peter ; Waiblinger, M. ; Dinse, Klaus-Peter ; Weidinger, Alois (2001)
Chromatographic separation of N@C 60/C 60 and N@C 70/70 mixtures.
In: Fullerene science and technology, 9
Article, Bibliographie

Goedde, Burkart ; Waiblinger, M. ; Jakes, Peter ; Weiden, Norbert ; Dinse, Klaus-Peter ; Weidinger, Alois (2001)
'Nitrogen doped' C 60 dimers (N@C 60-60).
In: Chemical physics letters, 334
Article, Bibliographie

Gedat, E. ; Schreiber, A. ; Findenegg, G. H. ; Shenderovich, I. ; Limbach, H. H. ; Buntkowsky, G. (2001)
Stray field gradient NMR reveals effects of hydrogen bonding on diffusion coefficients of pyridine in mesoporous silica.
In: Magnetic Resonance in Chemistry, 39
Article, Bibliographie

Goedde, Burkart ; Waiblinger, M. ; Jakes, Peter ; Weiden, Norbert ; Dinse, Klaus-Peter ; Weidinger, Alois (2000)
N@C 120 - the first step to endohedral polymers.
Conference or Workshop Item, Bibliographie

Gippius, A. A. ; Morozova, E. N. ; Antipov, E. V. ; Abakumov, A. M. ; Rozova, M. G. ; Luders, K. ; Hoffmann, W. ; Buntkowsky, G. ; Klein, O. (2000)
Magnetic flux dynamics and structural features in fluorinated HgBa2CuO4 as probed by F-19 NMR.
In: Physical Review B, 61 (21)
doi: 10.1103/PhysRevB.61.14370
Article, Bibliographie

Goedde, Burkart ; Weiden, N. ; Dinse, Klaus-Peter (1999)
Light-induced release of nitrogen from fullerene cages.
Conference or Workshop Item, Bibliographie

Groß, Ralf ; Dinse, Klaus-Peter (1999)
Light-induced formation of C60 radical adduct as studied with Fourier transform EPR.
Conference or Workshop Item, Bibliographie

Gippius, A. A. ; Antipov, E. V. ; Hoffmann, W. ; Lüders, K. ; Buntkowsky, G. (1999)
Low-frequency spin dynamics as probed by Cu-63 and Hg-199 NMR in HgBa2CuO4+delta superconductors with different oxygen content.
In: Physical Review B, 59 (1)
doi: 10.1103/PhysRevB.59.654
Article, Bibliographie

Grundemann, S. ; Limbach, H. H. ; Buntkowsky, G. ; Sabo-Etienne, S. ; Chaudret, B. (1999)
Distance and scalar HH-Coupling correlations in transition metal dihydrides and dihydrogen complexes.
In: Journal of Physical Chemistry A, 103 (24)
Article, Bibliographie

Gruß, Andrea ; Böhm, Michael C. ; Schulte, Joachim ; Dinse, Klaus-Peter (1998)
An ab initio Hartree-Fock investigation of endohedral Sc@C82.
In: Zeitschrift für Naturforschung A, 53 (9)
doi: 10.1515/zna-1998-0913
Article, Bibliographie

Gruß, Andrea ; Knapp, C. ; Weiden, N. ; Dinse, Klaus-Peter ; Dietel, E. ; Hirsch, A. ; Pietzak, B. ; Waiblinger, M. ; Weidinger, A. (1998)
EPR studies of N@C60 and its adducts.
In: Electronic properties of novel materials: progress in molecular nanostructures, Edition: New York: American Inst. of Physics, 1998
Book Section, Bibliographie

Groß, Ralf ; Plüschau, Marc ; Dinse, Klaus-Peter ; Beckert, D.
ed.: Rudowicz, Czeslaw Z. (1998)
Photo-induced hydrogen and electron transfer in solution as studied with FT-EPR.
First Asia Pacific EPR/ESR Symposium (APS '97). Hong Kong (20 - 24 January 1997)
Conference or Workshop Item, Bibliographie

Gruss, Andrea ; Dinse, Klaus-Peter ; Hirsch, Andreas ; Nuber, Berthold ; Reuther, Uwe (1997)
Photolysis of (C59N)2 studied by time-resolved EPR.
In: Journal of the American Chemical Society. S. 8728-8729, 119 (37)
doi: 10.1021/ja971669h
Article, Bibliographie

Gutsze, A. ; Bodurka, J. ; Robert, O. ; Buntkowsky, G. ; Limbach, H. H. (1995)
H-1-Nmr and Calorimetric Measurements on Rabbit Eye Lenses.
In: Zeitschrift Fur Naturforschung C-a Journal of Biosciences, 50 (5-6)
Article, Bibliographie

H

Hoffmann, Markus M. ; Too, Matthew D. ; Paddock, Nathaniel A. ; Horstmann, Robin ; Kloth, Sebastian ; Vogel, Michael ; Buntkowsky, Gerd (2024)
Molecular dynamics study of the green solvent polyethylene glycol with water impurities.
In: Molecules, 29 (9)
doi: 10.3390/molecules29092070
Article, Bibliographie

Haro Mares, Nadia B. ; Döller, Sonja C. ; Wissel, Till ; Hoffmann, Markus ; Vogel, Michael ; Buntkowsky, Gerd (2024)
Structures and dynamics of complex guest molecules in confinement, revealed by solid-state NMR, molecular dynamics, and calorimetry.
In: Molecules, 29 (7)
doi: 10.3390/molecules29071669
Article, Bibliographie

Herr, Kevin ; Fleckenstein, Max ; Brodrecht, Martin ; Höfler, Mark V. ; Heise, Henrike ; Aussenac, Fabien ; Gutmann, Torsten ; Reggelin, Michael ; Buntkowsky, Gerd (2023)
A novel strategy for site selective spin-labeling to investigate bioactive entities by DNP and EPR spectroscopy.
In: Scientific Reports, 2021, 11 (1)
doi: 10.26083/tuprints-00024212
Article, Secondary publication, Publisher's Version

Hess, Christian (2023)
Mechanistic insight into CO2 activation using new operando and transient spectroscopic approaches.
In: Bunsen-Magazin : Zeitschrift der Deutschen Bunsen-Gesellschaft für physikalische Chemie, 25 (4)
Article, Bibliographie

Hadjiali, Sara ; Bergmann, Marvin ; Kiryutin, Alexey ; Knecht, Stephan ; Sauer, Grit ; Plaumann, Markus ; Limbach, Hans-Heinrich ; Plenio, Herbert ; Buntkowsky, Gerd (2022)
The application of novel Ir-NHC polarization transfer complexes by SABRE.
In: The Journal of Chemical Physics, 2019, 151 (24)
doi: 10.26083/tuprints-00019737
Article, Secondary publication, Publisher's Version

Heber, Marcel ; Hofmann, Kathrin ; Hess, Christian (2022)
Raman Diagnostics of Cathode Materials for Li-Ion Batteries Using Multi-Wavelength Excitation.
In: Batteries, 8 (2)
doi: 10.3390/batteries8020010
Article, Bibliographie

Heber, Marcel ; Hess, Christian (2022)
Monitoring electrode/electrolyte interfaces of Li‐ion batteries under working conditions: A surface‐enhanced Raman spectroscopic study on LiCoO 2 composite cathodes.
In: Surface and Interface Analysis
doi: 10.1002/sia.7097
Article, Bibliographie

Heber, Marcel ; Hofmann, Kathrin ; Hess, Christian (2022)
Raman Diagnostics of Cathode Materials for Li-Ion Batteries Using Multi-Wavelength Excitation.
In: Batteries, 2022, 8 (2)
doi: 10.26083/tuprints-00021214
Article, Secondary publication, Publisher's Version

Heber, Marcel ; Hess, Christian (2022)
Monitoring electrode/electrolyte interfaces of Li‐ion batteries under working conditions: A surface‐enhanced Raman spectroscopic study on LiCoO₂ composite cathodes.
In: Surface and Interface Analysis, 2022, 54 (8)
doi: 10.26083/tuprints-00022435
Article, Secondary publication, Publisher's Version

Heber, Marcel ; Hess, Christian (2021)
Monitoring electrode/electrolyte interfaces of Li-ion batteries under working conditions: A surface-enhanced Raman spectroscopic study on LiCoO2 composite cathodes.
In: ChemRxiv : the Preprint Server for Chemistry
doi: 10.26434/chemrxiv-2021-13zcn
Article, Bibliographie

Herold, Felix ; Leubner, Oliver ; Jeschonek, Katharina ; Hess, Christian ; Drochner, Alfons ; Qi, Wei ; Etzold, Bastian J.M. (2021)
Methodology for the identification of carbonyl absorption maxima of carbon surface oxides in DRIFT spectra.
In: Carbon Trends, 3
doi: 10.1016/j.cartre.2020.100020
Article, Bibliographie

Hess, Christian (2021)
New advances in using Raman spectroscopy for the characterization of catalysts and catalytic reactions.
In: Chemical Society Reviews
doi: 10.1039/d0cs01059f
Article, Bibliographie

Hess, Christian
eds.: Diwald, Oliver ; Berger, Thomas (2021)
Vibrational Spectroscopies.
In: Metal Oxide Nanoparticles - Formation, Functional Properties, and Interfaces. Volume 2
doi: 10.1002/9781119436782.ch13
Book Section, Bibliographie

Herr, Kevin Sebastian (2021)
Entwicklung und Charakterisierung neuartiger Markierungen für Biomoleküle mit Anwendungen in NMR-Hyperpolarisationstechniken.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00019701
Ph.D. Thesis, Primary publication, Publisher's Version

Herzog, Nicole ; Kind, Jonas ; Hess, Christian ; Andrieu-Brunsen, Annette (2021)
Surface plasmon & visible light for polymer functionalization of mesopores and manipulation of ionic permselectivity.
In: Chemical Communications, 2015, 51 (58)
doi: 10.26083/tuprints-00019926
Article, Secondary publication, Publisher's Version

Heber, Marcel (2020)
Orts- und zeitaufgelöste in situ Raman-Spektroskopie von Li-Ionen-Batterien.
Technische Universität Darmstadt
doi: 10.25534/tuprints-00013471
Ph.D. Thesis, Primary publication

Herzog, Nicole ; Brilmayer, Robert ; Stanzel, Mathias ; Kalyta, Anastasia ; Spiehl, Dieter ; Dörsam, Edgar ; Hess, Christian ; Andrieu-Brunsen, Annette (2019)
Gravure printing for mesoporous film preparation.
In: RSC Advances, 9 (41)
doi: 10.1039/C9RA04266K
Article, Bibliographie

Hess, Christian ; Waleska, Philipp ; Ratzka, Michaela ; Janssens, Ton V. W. ; Rasmussen, Søren B. ; Beato, Pablo (2017)
Hierarchical Vanadia Model Catalysts for Ammonia Selective Catalytic Reduction.
In: Topics in Catalysis, 60 (19-20)
doi: 10.1007/s11244-017-0843-8
Article, Bibliographie

Heard, Christopher ; Shayeghi, Armin ; Schäfer, Rolf ; Johnston, Roy (2016)
Charge and Compositional Effects on the 2D–3D Transition in Octameric AgAu Clusters.
In: Zeitschrift für Physikalische Chemie, 230 (5-7)
Article, Bibliographie

Hausbrand, René ; Cherkashinin, Gennady ; Ehrenberg, Helmut ; Gröting, Melanie ; Albe, Karsten ; Hess, Christian ; Jaegermann, Wolfram (2015)
Fundamental degradation mechanisms of layered oxide Li-ion battery cathode materials: Methodology, insights and novel approaches.
In: Materials Science and Engineering: B, 192
doi: 10.1016/j.mseb.2014.11.014
Article, Bibliographie

Hess, Christian (2015)
Interaktion von Chemie und Kunst.
In: Nachrichten aus der Chemie, 63 (4)
Article, Bibliographie

Heber, Marcel ; Schilling, Christian ; Gross, Toni ; Hess, Christian (2015)
In situ Raman and UV-Vis spectroscopic analysis of lithium-ion batteries.
In: MRS Proceedings, 1773
doi: 10.1557/opl.2015.634
Article, Bibliographie

Herzog, Nicole ; Kind, Jonas ; Hess, Christian ; Andrieu-Brunsen, Annette (2015)
Surface Plasmons & Visible Light For Polymer Functionalization of Mesopores and Manipulation of Ionic Permselectivity.
In: Chemical Communications, 51 (58)
doi: 10.1039/C5CC03507D
Article, Bibliographie

Hörtz, Peter (2015)
Temperaturabhängige Adsorptionskalorimetrie zur Analyse mikroskopischer Vorgänge auf einkristallinen Metalloberflächen.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Heil, Andreas (2015)
Struktur- und Aktivitäts-Untersuchung von peptidbasierten Modellen der NiSOD.
Technische Universität Darmstadt
Ph.D. Thesis, Bibliographie

Hamm, Christin M. ; Alff, Lambert ; Albert, Barbara (2014)
Synthesis of Microcrystalline Ce2O3and Formation of Solid Solutions between Cerium and Lanthanum Oxides.
In: Zeitschrift für anorganische und allgemeine Chemie, 640 (6)
doi: 10.1002/zaac.201300663
Article, Bibliographie

Hess, Christian
eds.: Reedijk, J. ; Poeppelmeier, K. (2013)
Ordered mesoporous and microporous materials with heteroatoms.
In: Comprehensive Inorganic Chemistry II, Edition: 2
doi: 10.1016/B978-0-08-097774-4.00732-4
Book Section, Bibliographie

Hess, Christian (2013)
In situ Raman spectroscopy of catalysts: Examples from current research.
In: Top. Catal. , (56)
doi: 10.1007/s11244-013-0138-7
Article, Bibliographie

Heiles, Sven (2012)
Strukturdiskriminierung kleiner anorganischer Cluster durch evolutionäre Algorithmen in Kombination mit elektrischen Ablenkmessungen.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Haumann, M. ; Schonweiz, A. ; Breitzke, H. ; Buntkowsky, G. ; Werner, S. ; Szesni, N. (2012)
Solid-State NMR Investigations of Supported Ionic Liquid Phase Water-Gas Shift Catalysts: Ionic Liquid Film Distribution vs. Catalyst Performance.
In: Chemical Engineering & Technology, 35 (8)
Article, Bibliographie

Hess, Christian
eds.: Hess, Christian ; Schlögl, R. (2011)
Highly dispersed vanadium oxide catalysts.
In: Nanostructured Catalysts: Selective Oxidation
doi: 10.1039/9781847559876-00299
Book Section, Bibliographie

Hess, Christian
eds.: Hess, Christian ; Schlögl, R. (2011)
Surface science models with chemical complexity.
In: Nanostructured Catalysts: Selective Oxidation
doi: 10.1039/9781847559876-00326
Book Section, Bibliographie

Hävecker, Michael ; Cavalleri, Matteo ; Herbert, Rita ; Follath, Rolf ; Knop-Gericke, Axel ; Hess, Christian ; Hermann, Klaus ; Schlögl, Robert (2009)
Methodology for the structural characterisation of VxOy species supported on silica under reaction conditions by means of in situ O K-edge X-ray absorption spectroscopy.
In: Physica Status Solidi (b), 246 (7)
doi: 10.1002/pssb.200945067
Article, Bibliographie

Herbert, Rita ; Wang, Di ; Schomäcker, Reinhard ; Schlögl, Robert ; Hess, Christian (2009)
Stabilization of Mesoporous Silica SBA-15 by Surface Functionalization.
In: ChemPhysChem, 10 (13)
doi: 10.1002/cphc.200900311
Article, Bibliographie

Hess, Christian (2009)
Nanostructured Vanadium Oxide Model Catalysts for Selective Oxidation Reactions.
In: ChemPhysChem, 10 (2)
doi: 10.1002/cphc.200800585
Article, Bibliographie

Habel, D. ; Feike, E. ; Schroder, C. ; Schubert, H. ; Hösch, A. ; Stelzer, J. B. ; Caro, J. ; Hess, Christian ; Knop-Gericke, A.
eds.: Mullins, William M. ; Wereszczak, Andrew ; Lara-Curzio, Edgar (2007)
Phase Development in the Catalytic System V2O5/TiO2 Under Oxidizing Conditions.
In: Synthesis and Processing of Nanostructured Materials: Ceramic Engineering and Science
doi: 10.1002/9780470291375
Book Section, Bibliographie

Herchel, Radovan ; Boca, Roman ; Gembicky, Milan ; Falk, Karsten ; Fuess, Hartmut ; Haase, Wolfgang ; Svoboda, Ingrid (2007)
Magnetic properties of a manganese(II) trinuclear complex involving a tridentate Schiff-base ligand.
In: Inorganic Chemistry, 46
Article, Bibliographie

Hess, Christian ; Tzolova-Muller, G. ; Herbert, R. (2007)
The Influence of Water on the Dispersion of Vanadia Supported on Silica SBA-15: A Combined XPS and Raman Study.
In: Journal of Physical Chemistry C, 111 (26)
doi: 10.1021/jp0713920
Article, Bibliographie

Hess, Christian (2007)
Direct correlation of the dispersion and structure in vanadium oxide supported on silica SBA-15.
In: Journal of Catalysis, 248 (1)
doi: 10.1016/j.jcat.2007.02.024
Article, Bibliographie

Herbert, Rita ; Hess, Christian ; Schlögl, Robert (2007)
Eine neue Synthesemethode zur Stabilisierung der Nanostruktur mesoporöser Materialien am Beispiel eines geträgerten Vanadiumkatalysators.
ProcessNet Jahrestagung 2007. Aachen (16. - 18.10.)
doi: 10.1002/cite.200750155
Conference or Workshop Item, Bibliographie

Hertel, Brigitte ; Tayefeh, Sascha ; Mehmel, Mario ; Kast, Stefan Michael ; Etten, James L. van ; Moroni, Anna ; Thiel, Gerhard (2006)
Elongation of outer transmembrane domain alters function of miniature K+ channel Kcv.
In: Journal of membrane biology, 210
Article, Bibliographie

Habel, D. ; Stelzer, J. B. ; Feike, E. ; Schroder, C. ; Hösch, A. ; Hess, Christian ; Knopgericke, A. ; Caroll, J. J. ; Schubert, H. (2006)
Phase development in the catalytic system V2O5/TiO2 under oxidizing conditions.
In: Journal of the European Ceramic Society, 26 (15)
doi: 10.1016/j.jeurceramsoc.2005.09.108
Article, Bibliographie

Herbert, R. ; Wild, U. ; Hess, C. ; Schlögl, R. (2006)
Nanostrukturierte Vanadiumoxid-Modell-Katalysatoren auf Basis von mesoporösem SBA-15.
GVC/DECHEMA-Jahrestagung. Wiesbaden (26. - 28.09.2006)
doi: 10.1002/cite.200650050
Conference or Workshop Item, Bibliographie

Hess, Christian ; Looi, Ming Hoong ; Hamid, Sharifa Bee Abd ; Schlögl, Robert (2006)
Importance of nanostructured vanadia for selective oxidation of propane to acrylic acid.
In: Chemical Communications, (4)
doi: 10.1039/b512175b
Article, Bibliographie

Hess, Christian ; Ozensoy, Emrah ; Yi, Cheol-Woo ; Goodman, D. Wayne (2006)
NO Dimer and Dinitrosyl Formation on Pd(111): From Ultra-High-Vacuum to Elevated Pressure Conditions.
In: Journal of the American Chemical Society, 128 (9)
doi: 10.1021/ja057131q
Article, Bibliographie

Hess, Christian ; Wild, Ute ; Schlögl, Robert (2006)
The mechanism for the controlled synthesis of highly dispersed vanadia supported on silica SBA-15.
In: Microporous and Mesoporous Materials, 95 (1-3)
doi: 10.1016/j.micromeso.2006.06.010
Article, Bibliographie

Hess, Christian ; Schlögl, Robert (2006)
The influence of water on the dispersion of vanadia supported on silica SBA-15.
In: Chemical Physics Letters, 432 (1-3)
doi: 10.1016/j.cplett.2006.10.074
Article, Bibliographie

Hess, Christian (2006)
Characterization of the synthesis and reactivity behavior of nanostructured vanadia model catalysts using XPS and vibrational spectroscopy.
In: Surface Science, 600 (18)
doi: 10.1016/j.susc.2005.11.063
Article, Bibliographie

Hess, Christian ; Drake, Ian J. ; Hoefelmeyer, James D. ; Tilley, T. Don ; Bell, Alex T. (2005)
Partial Oxidation of Methanol Over Highly Dispersed Vanadia Supported on Silica SBA-15.
In: Catalysis Letters, 105 (1-2)
doi: 10.1007/s10562-005-7997-x
Article, Bibliographie

Hess, Christian ; Hoefelmeyer, James D. ; Tilley, T. Don (2004)
Spectroscopic Characterization of Highly Dispersed Vanadia Supported on SBA-15.
In: The Journal of Physical Chemistry B, 108 (28)
doi: 10.1021/jp037714r
Article, Bibliographie

Hess, Christian ; Ozensoy, Emrah ; Goodman, D. Wayne (2004)
Reply to “Comment on ‘Combined in Situ and Infrared Kinetic Study of the Catalytic CO + NO Reaction on Pd(111) at Pressures up to 240 mbar'”.
In: The Journal of Physical Chemistry B, 108 (37)
doi: 10.1021/jp040299y
Article, Bibliographie

Hauptmann, Sven ; Dufner, H. ; Brickmann, Jürgen ; Kast, Stefan Michael ; Berry, S. M. (2003)
Potential energy function for apatites.
In: Physical chemistry chemical physics, 5
Article, Bibliographie

Hess, Christian ; Lunsford, Jack H. (2003)
NO2 Storage and Reduction in Barium Oxide Supported on Magnesium Oxide Studied by in Situ Raman Spectroscopy.
In: The Journal of Physical Chemistry B, 107 (9)
doi: 10.1021/jp022054w
Article, Bibliographie

Hess, Christian ; Ozensoy, Emrah ; Goodman, D. Wayne (2003)
Combined in Situ Infrared and Kinetic Study of the Catalytic CO + NO Reaction on Pd(111) at Pressures up to 240 mbar.
In: The Journal of Physical Chemistry B, 107 (12)
doi: 10.1021/jp021958e
Article, Bibliographie

Hess, Christian ; Cho, M. ; Bonn, Mischa (2002)
Doubly vibrationally resonant spectroscopy of CO on Ru(001).
In: Surface Science, 502-503
doi: 10.1016/S0039-6028(01)01908-2
Article, Bibliographie

Hess, Christian ; Wolf, M. ; Roke, S. ; Bonn, Mischa (2002)
Femtosecond time-resolved vibrational SFG spectroscopy of CO/Ru(001).
In: Surface Science, 502-503
doi: 10.1016/S0039-6028(01)01968-9
Article, Bibliographie

Hess, Christian ; Lunsford, Jack H. (2002)
Mechanism for NO2 Storage in Barium Oxide Supported on Magnesium Oxide Studied by in Situ Raman Spectroscopy.
In: The Journal of Physical Chemistry B, 106 (25)
doi: 10.1021/jp0206976
Article, Bibliographie

Haase, Wolfgang (2001)
Measurements of diamagnetic properties.
In: Physical properties of liquid crystals. Vol. 1: Nematics. Hrsg.: D.A. Dunmur (u.a.) - Stevenage: IEEE, 2001. = EMIS datareviews series; 25. S. 288-296
Article, Bibliographie

Haase, Wolfgang ; Gorkunov, M. ; Beresnev, L. ; Pikin, S. (2001)
V-shaped switching: models and physical reasons.
In: Molecular crystals and liquid crystals, 366
Article, Bibliographie

Haase, Wolfgang ; Podgornov, F. (2001)
Fast switchable devices based on ferroelectric liquid crystals.
In: Journal of optical technology, 68
Article, Bibliographie

Hess, Christian ; Bonn, Mischa ; Funk, S. ; Wolf, M. (2000)
Hot-band excitation of CO chemisorbed on Ru(001) studied with broadband-IR sum-frequency generation.
In: Chemical Physics Letters, 325
Article, Bibliographie

Haase, Wolfgang ; Athanassopoulou, M. A. (2000)
Metallomesogens: some magnetic properties of a novel class of materials.
Conference or Workshop Item, Bibliographie

Haase, Wolfgang ; Ganzke, D. ; Pozhidaev, E. P. ; Ozaki, M. ; Matsui, T. ; Nakayama, K. ; Yoshino, K. (2000)
Investigations on short pitch ferroelectric liquid crystal mixtures.
In: Journal of the Society of Electrical Materials and Engineering, 9
Article, Bibliographie

Hess, Christian ; Funk, S. ; Bonn, M. ; Denzler, D. N. ; Wolf, M. ; Ertl, G. (2000)
Femtosecond dynamics of chemical reactions at surfaces.
In: Applied Physics A: Materials Science & Processing, 71 (5)
doi: 10.1007/s003390000703
Article, Bibliographie

Haase, Wolfgang ; Ganzke, D. ; Pozhidaev, E. P. (1999)
Ferroelectric liquid crystals for non-display applications.
Conference or Workshop Item, Bibliographie

Haase, Wolfgang ; Saal, S. ; Grossmann, S. ; Weyrauch, T. (1999)
Mobility of dyes in polymer matrix: frequency dependent electroabsorption.
Conference or Workshop Item, Bibliographie

Haase, Wolfgang ; Athanassopoulou, M. A.
ed.: Mingos, D. M. P. (1998)
Crystal structures of LC mesogens: invited contribution.
In: Liquid crystals . Vol. 1
Book Section, Bibliographie

Haase, Wolfgang (1997)
Contribution to the long-range superexchange interaction and to the magnetism and optical spectra of the exchange coupled hemocyanin, Co hemocyanin and purple acid phosphatases.
In: Bioinorganic chemistry: transition metals in biology and their coordination chemistry: research report
Book Section, Bibliographie

Haase, Wolfgang ; Soto Bustamante, ; Großmann, ; Werner, ; Galyametdinov, Yu. G. (1996)
Recent results on liquid crystalline metallopolymers.
In: Polymer preprints. 37 (1996), S. 64-65
Article, Bibliographie

Haase, Wolfgang ; Griesar, ; Soto Bustamante, ; Galyametdinov, Yu. G. (1996)
Magnetic investigations on Cu(II)- and Fe(III)-containing liquid crystalline metallopolymers.
In: Metal-containing polymeric materials, Edition: New York, London: Plenum Publ. Corp., 1996
Book Section, Bibliographie

Haase, Wolfgang ; Griesar, ; Soto Bustamante, ; Galyametdinov, Yu. G. (1995)
Magnetic investigations on liquid crystalline metallopolymers.
In: Molecular crystals and liquid crystals. 274 (1995), S. 99-111
Article, Bibliographie

Hoffmann, W. ; Breitzke, H. ; Simmons, C. T. ; Lüders, K. ; Buntkowsky, G. ; Limbach, H. H. ; Antipov, E. V. ; Gippius, A. A. ; Loebich, O. ; Khan, H. R. ; Paranthaman, M. ; Thompson, J. R. (1995)
Hg-199 and Cu-65,Cu-65 Nmr-Studies of Mercury Based High-T-C Supercouductors.
In: Applied Magnetic Resonance, 8 (1)
Article, Bibliographie

Hoffmann, W. ; Breitzke, H. ; Baenitz, M. ; Heinze, M. ; Lüders, K. ; Buntkowsky, G. ; Limbach, H. H. ; Antipov, E. V. ; Gippius, A. A. ; Loebich, O. ; Khan, H. R. ; Paranthaman, M. ; Thompson, J. R. (1994)
Application of Hg-199 Solid-State NMR to Hg Based HTSC.
In: Physica C, 227 (3-4)
Article, Bibliographie

Hoffmann, W. ; Kraus, M. ; Lüders, K. ; Buntkowsky, G. ; Limbach, H. H. ; Antipov, E. V. ; Gippius, A. A. ; Loebich, O. ; Khan, H. R. ; Paranthaman, M. ; Thompson, J. R. (1994)
Hg-199-Solid State NMR and Susceptibility Studies of Mercury-Based HTSC.
In: Physica C, 235
Article, Bibliographie

I

Ionescu, Emanuel ; Papendorf, Benjamin ; Kleebe, Hans-Joachim ; Breitzke, Hergen ; Nonnenmacher, Katharina ; Buntkowsky, Gerd ; Riedel, Ralf (2012)
Phase separation of a hafnium alkoxide-modified polysilazane upon polymer-to-ceramic transformation - A case study.
In: Journal of the European Ceramic Society, 32 (9)
doi: 10.1016/j.jeurceramsoc.2011.09.003
Article, Bibliographie

Ip, B. C. K. ; Shenderovich, I. G. ; Tostoy, P. M. ; Frydel, J. ; Denisov, G. S. ; Buntkowsky, G. ; Limbach, H. H. (2012)
NMR Studies of Solid Pentachlorophenol-4-Methylpyridine Complexes Exhibiting Strong OHN Hydrogen Bonds: Geometric H/D Isotope Effects and Hydrogen Bond Coupling Cause Isotopic Polymorphism.
In: Journal of Physical Chemistry A, 116 (46)
Article, Bibliographie

Ip, B. C. K. ; Andreeva, D. V. ; Buntkowsky, G. ; Akcakayiran, D. ; Findenegg, G. H. ; Shenderovich, I. G. (2010)
NMR study of proton transfer to strong bases on inner surfaces of MCM-41.
In: Microporous and Mesoporous Materials, 134 (1-3)
Article, Bibliographie

J

Jäger, Marc ; Schäfer, Rolf ; Johnston, Roy L. (2022)
First principles global optimization of metal clusters and nanoalloys.
In: Advances in Physics: X: APX, 2018, 3 (1)
doi: 10.26083/tuprints-00012847
Article, Secondary publication, Publisher's Version

Jäger, Marc (2021)
Optoelektronische Eigenschaften molekularer Halbleitersysteme.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00017548
Ph.D. Thesis, Primary publication, Publisher's Version

Jäger, Marc ; Schäfer, Rolf (2021)
From Cd‐rich to Se‐rich – the manipulation of CdSe nanocluster structure and optical absorption.
In: ChemPhysChem, 22 (2)
doi: 10.1002/cphc.202000894
Article, Bibliographie

Jäger, Marc ; Schäfer, Rolf (2021)
Variation of the optical properties with size and composition of small, isolated CdxSey+ clusters.
In: Journal of Computational Chemistry, 42 (5)
doi: 10.1002/jcc.26456
Article, Bibliographie

Jayanthi, S. ; Werner, M. ; Xu, Y. ; Buntkowsky, G. ; Vega, S. (2013)
Restricted Dynamics of a Deuterated Linker Grafted on SBA-15 Revealed by Deuterium MAS NMR.
In: Journal of Physical Chemistry C, 117 (25)
Article, Bibliographie

Jäger, Robert ; Kast, Stefan Michael ; Brickmann, Jürgen (2003)
Parametrization strategy for the MOIFESD concept : quantitative surface representation of local hydrophobicity.
In: Journal of chemical information and computer sciences, 43
Article, Bibliographie

Jakes, P. ; Dinse, Klaus-Peter ; Meyer, C. ; Harneit, W. ; Weidinger, A. (2003)
Preparation of pure N@C60.
Conference or Workshop Item, Bibliographie

Jakes, Peter ; Weiden, Norbert ; Eichel, Rüdiger-A. ; Gembus, Armin ; Dinse, Klaus-Peter ; Meyer, Carola ; Harneit, Wolfgang ; Weidinger, Alois (2002)
Electron paramagnetic resonance investigation of endohedral fullerences N@C 60 and N@C 70 in a liquid crystal.
In: Journal of magnetic resonance, 156
Article, Bibliographie

Jakes, Peter ; Dinse, Klaus-Peter (2001)
Chemically induced spin transfer to an encased molecular cluster: an EPR study of Sc3N@C80 radical anions.
In: Journal of the American Chemical Society, 123
Article, Bibliographie

Jakes, Peter ; Dinse, Klaus-Peter (2001)
EPR study of Sc 3N@C 80 radical anions.
Conference or Workshop Item, Bibliographie

Jäger, Robert ; Kast, Stefan Michael (2001)
Fast prediction of hydration free energies from molecular interaction fields.
In: Journal of molecular graphics and modelling, 20
Article, Bibliographie

Jakes, Peter ; Goedde, B. ; Waiblinger, M. ; Weiden, N. ; Dinse, Klaus-Peter ; Weidinger, A. (2000)
Synthesis and EPR studies of N@C60 and N@C70 radical anions.
Conference or Workshop Item, Bibliographie

Jimenez, J. A. ; Claramunt, R. M. ; Mo, O. ; Yanez, M. ; Wehrmann, F. ; Buntkowsky, G. ; Limbach, H. H. ; Goddard, R. ; Elguero, J. (1999)
The structure of N-aminopyrazole in the solid state and in solution: an experimental and computational study.
In: Physical Chemistry Chemical Physics, 1 (22)
Article, Bibliographie

K

Knecht, Stephan ; Blanchard, John W. ; Barskiy, Danila ; Cavallari, Eleonora ; Dagys, Laurynas ; Dyke, Erik Van ; Tsukanov, Maksim ; Bliemel, Bea ; Münnemann, Kerstin ; Aime, Silvio ; Reineri, Francesca ; Levitt, Malcolm H. ; Buntkowsky, Gerd ; Pines, Alexander ; Blümler, Peter ; Budker, Dmitry ; Eills, James (2023)
Rapid hyperpolarization and purification of the metabolite fumarate in aqueous solution.
In: Proceedings of the National Academy of Sciences of the United States of America : PNAS, 2021, 118 (13)
doi: 10.26083/tuprints-00024221
Article, Secondary publication, Publisher's Version

Kozinenko, Vitaly P. ; Kiryutin, Alexey S. ; Knecht, Stephan ; Buntkowsky, Gerd ; Vieth, Hans-Martin ; Yurkovskaya, Alexandra V. ; Ivanov, Konstantin L. (2023)
Spin dynamics in experiments on orthodeuterium induced polarization (ODIP).
In: The Journal of Chemical Physics, 2020, 153 (11)
doi: 10.26083/tuprints-00024227
Article, Secondary publication, Publisher's Version

Knecht, Stephan ; Barskiy, Danila A. ; Buntkowsky, Gerd ; Ivanov, Konstantin L. (2023)
Theoretical description of hyperpolarization formation in the SABRE-relay method.
In: The Journal of Chemical Physics, 2020, 153 (16)
doi: 10.26083/tuprints-00024228
Article, Secondary publication, Publisher's Version

Krusenbaum, Annika ; Kraus, Fabien Joel Leon ; Hutsch, Stefanie ; Grätz, Sven ; Höfler, Mark Valentin ; Gutmann, Torsten ; Borchardt, Lars (2023)
The Rapid Mechanochemical Synthesis of Microporous Covalent Triazine Networks: Elucidating the Role of Chlorinated Linkers by a Solvent‐Free Approach.
In: Advanced Sustainable Systems, 2023, 7 (4)
doi: 10.26083/tuprints-00024312
Article, Secondary publication, Publisher's Version

Kumari, Bharti ; John, Daniel ; Hoffmann, Paul ; Spende, Anne ; Toimil-Molares, Maria Eugenia ; Trautmann, Christina ; Hess, Christian ; Ruff, Philip ; Schulze, Marcus ; Stark, Robert ; Buntkowsky, Gerd ; Andrieu-Brunsen, Annette ; Gutmann, Torsten (2021)
Surface Enhanced DNP Assisted Solid-State NMR of Functionalized SiO2 Coated Polycarbonate Membranes.
In: Zeitschrift für Physikalische Chemie, 2018, 232 (7-8)
doi: 10.26083/tuprints-00019680
Article, Secondary publication, Publisher's Version

Kumari, Bharti (2020)
Surface Studies of Porous Materials Using Solid-state NMR and DNP-SENS.
Technische Universität Darmstadt
doi: 10.25534/tuprints-00011470
Ph.D. Thesis, Primary publication

Knoche, Stefan ; Heid, Maurice ; Gora, Niklas ; Ohlig, Dominik ; Drochner, Alfons ; Hess, Christian ; Etzold, Bastian ; Vogel, Herbert (2019)
Mechanistic Study on the Selective Oxidation of Acrolein to Acrylic Acid: Identification of the Rate‐Limiting Step via Perdeuterated Acrolein.
In: ChemCatChem, 11 (14)
doi: 10.1002/cctc.201900549
Article, Bibliographie

Kaufmann, Desirée ; Tietze, Alesia A. ; Tietze, Daniel (2019)
In Silico Analysis of the Subtype Selective Blockage of KCNA Ion Channels through the µ-Conotoxins PIIIA, SIIIA, and GIIIA.
In: Marine Drugs, 2019, 17 (3)
doi: 10.3390/md17030180
Article, Secondary publication

Kaufmann, Desirée (2019)
Virtual insights on G protein inhibition and ion channel block – a computer-based study.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Korschelt, K. ; Schwidetzky, R. ; Pfitzner, F. ; Strugatchi, J. ; Schilling, C. ; Au, M. von der ; Kirchhoff, K. ; Panthöfer, M. ; Lieberwirth, I. ; Tahir, M. N. ; Hess, Christian ; Meermann, B. ; Tremel, W. (2018)
CeO2−x nanorods with intrinsic urease-like activity.
In: Nanoscale, (10)
doi: 10.1039/c8nr03556c
Article, Bibliographie

Kumari, Bharti ; John, Daniel ; Hoffmann, Paul ; Spende, Anne ; Toimil-Molares, Maria Eugenia ; Trautmann, Christina ; Hess, Christian ; Ruff, Philip ; Schulze, Marcus ; Stark, Robert ; Buntkowsky, Gerd ; Andrieu-Brunsen, Annette ; Gutmann, Torsten (2018)
Surface enhanced DNP assisted solid-state NMR of functionalized SiO2 coated polycarbonate membranes.
In: Zeitschrift für Physikalische Chemie, 232 (7-8)
doi: 10.1515/zpch-2017-1032
Article, Bibliographie

Kaeswurm, B. ; Friemert, K. ; Gürsoy, M. ; Skokov, K. P. ; Gutfleisch, O. (2016)
Direct measurement of the magnetocaloric effect in cementite.
In: Journal of Magnetism and Magnetic Materials, 410
doi: 10.1016/j.jmmm.2016.02.080
Article, Bibliographie

Klett, Joachim ; Elger, Benjamin ; Krähling, Stephan ; Kaiser, Bernhard ; Jaegermann, Wolfram ; Schäfer, Rolf (2016)
Water dissociation on silica in the presence of atomic platinum.
In: Applied Surface Science, 375
doi: 10.1016/j.apsusc.2016.03.041
Article, Bibliographie

Krähling, Stephan (2016)
Aufbau einer Apparatur zur Herstellung massenselektierter Nanopartikel: Inbetriebnahme und erste Anwendungen.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Klett, Joachim (2016)
Interface and catalyst investigation for solar water splitting.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Klett, Joachim ; Ziegler, Jürgen ; Radetinac, Aldin ; Kaiser, Bernhard ; Schäfer, Rolf ; Jaegermann, Wolfram ; Urbain, Félix ; Becker, Jan-Philipp ; Smirnov, Vladimir ; Finger, Friedhelm (2016)
Band engineering for efficient catalyst-substrate coupling for photoelectrochemical water splitting.
In: Phys. Chem. Chem. Phys., 18 (16)
doi: 10.1039/C5CP06230F
Article, Bibliographie

Klett, Joachim ; Eva, Andreas ; Heinz, Frederick ; Kaiser, Bernhard ; Jaegermann, Wolfram ; Schäfer, Rolf (2015)
Electrocatalytic Performance of High-Surface-Area Platinum Catalysts Synthesized by Chemical Vapor Deposition for Water Splitting.
In: ChemCatChem, 8 (2)
doi: 10.1002/cctc.201501012
Article, Bibliographie

Krohm, Fabio ; Didzoleit, Haiko ; Schulze, Marcus ; Dietz, Christian ; Stark, Robert W. ; Hess, Christian ; Stühn, Bernd ; Brunsen, Annette (2014)
Controlling Polymerization Initiator Concentration in Mesoporous Silica Thin Films.
In: Langmuir, 30 (1)
doi: 10.1021/la404004f
Article, Bibliographie

Kahse, M. ; Werner, M. ; Zhao, S. ; Hartmann, M. ; Buntkowsky, G. ; Winter, R. (2014)
Stability, Hydration, and Thermodynamic Properties of RNase A Confined in Surface-Functionalized SBA-15 Mesoporous Molecular Sieves.
In: Journal of Physical Chemistry C, 118 (37)
Article, Bibliographie

Kayhan, Mehmet (2013)
Transition Metal Borides: Synthesis, Characterization and Superconducting Properties.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Kayhan, Emine (2013)
Graphene: Synthesis, Characterization, Properties and Functional Behavior as Catalyst Support and Gas Sensor.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Knappschneider, Arno ; Litterscheid, Christian ; Dzivenko, Dmytro ; Kurzman, Joshua A. ; Seshadri, Ram ; Wagner, Norbert ; Beck, Johannes ; Riedel, Ralf ; Albert, Barbara (2013)
Possible Superhardness of CrB4.
In: Inorganic Chemistry, 52 (2)
doi: 10.1021/ic3020404
Article, Bibliographie

Korner, M. ; Sauer, G. ; Heil, A. ; Nasu, D. ; Empting, M. ; Tietze, D. ; Voigt, S. ; Weidler, H. ; Gutmann, T. ; Avrutina, O. ; Kolmar, H. ; Ratajczyk, T. ; Buntkowsky, G. (2013)
PHIP-label: parahydrogen-induced polarization in propargylglycine-containing synthetic oligopeptides.
In: Chemical Communications, 49 (71)
Article, Bibliographie

Kast, Stefan Michael ; Hauptmann, Wulf ; Schilling, Bernd (2006)
Design of reduced molecular models by integral equation theory.
In: Chemical Physics Letters, 418 (1-3)
doi: 10.1016/j.cplett.2005.10.125
Article, Bibliographie

Knapp, C. ; Weiden, N. ; Dinse, Klaus-Peter (2005)
Comparative EPR study of Cu@C60 and N@C60 endofullerenes,.
In: Magnetic Resonance in Chemistry, 43
Article, Bibliographie

Kast, Stefan Michael (2003)
Free energies from integral equation theories : enforcing path independence.
In: Physica review E, 67
Article, Bibliographie

Kast, Stefan Michael ; Schmidt, Karl Friedemann ; Schilling, Bernd (2003)
Integral equation theory for correcting truncation errors in molecular simulations.
In: Chemical Physics Letters, 367
Article, Bibliographie

Kast, K. M. ; Brickmann, Jürgen ; Kast, Stefan Michael ; Berry, R. S. (2003)
Binary phases of alipatic N-oxides and water : force field development and molecular dynamics simulation.
In: Journal of physical chemistry A, 107
Article, Bibliographie

Keil, Matthias ; Borosch, Thorsten ; Exner, Thomas E. ; Brickmann, Jürgen (2003)
Computer visualization of molecular models : tools for man-machine communication in molecular science.
In: Handbook of Chemoinformatics : from data to knowledge in 4 volumes; Teil 1
Book Section, Bibliographie

Kast, Stefan Michael (2002)
Efficient quantitative prediction of structural and thermodynamic condensed phase properties.
Habilitation, Bibliographie

Kundu, S. K. ; Okabe, E. ; Haase, W. ; Chaudhuri, B. K. (2001)
Dielectric investigation of electrically oriented ferroelectric smectic mixture CS-1013.
In: Physical Review E, 64 (5)
doi: 10.1103/PhysRevE.64.051708
Article, Bibliographie

Kast, Stefan Michael (2001)
Combinations of simulation and integral equation theory.
In: Physical chemistry chemical physics, 3
Article, Bibliographie

Karar, M. ; Chaudhuri, B. K. ; Purohit, T. ; Haase, W. (2001)
On the deuteration induced transitions in (NH4)2PbCl6 type crystals with pseudospin-lattice coupled mode model and using statistical Green's function technique.
In: Indian journal of physics and proceedings of the Indian Association for the Cultivation of Science / A, 75A (4)
Article, Bibliographie

Kundu, S. ; Okabe, E. ; Chaudhuri, B. K. ; Haase, W. (2001)
Observation and successive phase transitions in ferroelectric liquid crystal (CS-1013) from dielectric measurements and a pseudospin type model for studying ferro and antiferroelectric behaviour.
In: Indian journal of physics and proceedings of the Indian Association for the Cultivation of Science / A, 75A (2)
Article, Bibliographie

Knapp, Claus ; Weiden, N. ; Käß, H. ; Dinse, Klaus-Peter (1999)
Atoms in fullerene traps as probes for local fields.
Conference or Workshop Item, Bibliographie

Kraus, M. ; Klein, K. ; Buntkowsky, G. ; Lüders, K. (1999)
New aspects in the interpretation of the T ' and T Rb-87 NMR lines in Rb3C60.
In: Physica B, 271 (1-4)
Article, Bibliographie

Knapp, Claus ; Dinse, Klaus-Peter ; Pietzak, ; Waiblinger, ; Weidinger, (1997)
Fourier transform EPR study of N@C60 in solution.
In: Chemical physics letters. 272 (1997), S. 433-437
Article, Bibliographie

Kast, Stefan Michael ; Berry, R. S. ; Brickmann, J.
ed.: Calais, Jean-Louis (1997)
The interplay between quantum chemistry and molecular dynamics simulations.
In: Conceptual perspectives in quantum chemistry
Book Section, Bibliographie

Knapp, Claus ; Schweitzer, ; Weiden, N. ; Dinse, Klaus-Peter ; Pietzak, ; Weidinger, (1997)
EPR study of N@C60 and various topoisomers of metallo-endofullerenes.
In: Recent advances in the chemistry and physics of fullerenes and related materials, Edition: Pennington, N.Y.: The Electrochemical Society, 1997
Book Section, Bibliographie

Kanowski, M. ; Vieth, H. M. ; Lüders, K. ; Buntkowsky, G. ; Belz, T. ; Werner, H. ; Wohlers, M. ; Schlogl, R. (1997)
The structure of fullerene black and the incorporation of C-60 investigated by C-13 NMR.
In: Carbon, 35 (5)
Article, Bibliographie

Kanowski, M. ; Buntkowsky, G. ; Werner, H. ; Wohlers, M. ; Schlogl, R. ; Vieth, H. M. ; Lüders, K. (1994)
C-13 Nmr Investigations of Fullerene Black.
In: Molecular Crystals and Liquid Crystals Science and Technology Section a-Molecular Crystals and Liquid Crystals, 244
Article, Bibliographie

Karge, H. G. ; Darmstadt, H. ; Gutsze, A. ; Vieth, H. M. ; Buntkowsky, G. (1994)
C-13 Mas Nmr and Related Studies of Coke Formation on H-Zsm-5.
In: Zeolites and Related Microporous Materials: State of the Art 1994, 84
Article, Bibliographie

L

Lenhardt, Katharina R. ; Breitzke, Hergen ; Buntkowsky, Gerd ; Reimhult, Erik ; Willinger, Max ; Rennert, Thilo (2023)
Synthesis of short-range ordered aluminosilicates at ambient conditions.
In: Scientific Reports, 2021, 11 (1)
doi: 10.26083/tuprints-00024222
Article, Secondary publication, Publisher's Version

Lehr, Andreas (2023)
Das Wechselspiel von geometrischer und elektronischer Struktur in (dotierten) Tetrelclustern: Eine Studie zur optischen Spektroskopie und magnetischen Ablenkung im Molekularstrahl.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00024352
Ph.D. Thesis, Primary publication, Publisher's Version

Liu, Peiwen ; Liu, Huan ; Schäfer, Timmy ; Gutmann, Torsten ; Gibhardt, Holger ; Qi, Houjuan ; Tian, Lin ; Zhang, Xizhou Cecily ; Buntkowsky, Gerd ; Zhang, Kai (2022)
Unexpected selective alkaline periodate oxidation of chitin for the isolation of chitin nanocrystals.
In: Green Chemistry, 2021, 23 (2)
doi: 10.26083/tuprints-00020297
Article, Secondary publication, Publisher's Version

Liang, Jun ; Nuhnen, Alexander ; Millan, Simon ; Breitzke, Hergen ; Gvilava, Vasily ; Buntkowsky, Gerd ; Janiak, Christoph (2022)
Encapsulation of a Porous Organic Cage into the Pores of a Metal–Organic Framework for Enhanced CO₂ Separation.
In: Angewandte Chemie, 2020, 132 (15)
doi: 10.26083/tuprints-00020291
Article, Secondary publication, Publisher's Version

Li, Zhenzhong ; Rösler, Lorenz ; Herr, Kevin ; Brodrecht, Martin ; Breitzke, Hergen ; Hofmann, Kathrin ; Limbach, Hans‐Heinrich ; Gutmann, Torsten ; Buntkowsky, Gerd (2022)
Dirhodium Coordination Polymers for Asymmetric Cyclopropanation of Diazooxindoles with Olefins: Synthesis and Spectroscopic Analysis.
In: ChemPlusChem, 2020, 85 (8)
doi: 10.26083/tuprints-00020311
Article, Secondary publication, Publisher's Version

Li, Zhenzhong (2021)
Design and Characterization of Heterogeneous Dirhodium Catalysts – Application in Asymmetric Cyclopropanation Reaction.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00019922
Ph.D. Thesis, Primary publication, Publisher's Version

Lehr, Andreas ; Jäger, Marc ; Gleditzsch, Martin ; Rivic, Filip ; Schäfer, Rolf (2020)
Optical Absorption of Atomically-Precise Sn14 Nanoclusters: The Antagonistic Interplay of Ligand Stabilization, Molecular Symmetry, and Solvatochromism.
In: Journal of Physical Chemistry Letters, 11 (18)
doi: 10.1021/acs.jpclett.0c02183
Article, Bibliographie

Lehr, Andreas ; Jäger, Marc ; Schäfer, Rolf (2019)
Optical Properties of Sin+ (n=6–100) Clusters: The Approach to Bulk Behavior.
In: Journal of Physical Chemistry C, 124 (1)
doi: 10.1021/acs.jpcc.9b08927
Article, Bibliographie

Liu, Jiquan ; Xu, Yeping ; Groszewicz, Pedro B. ; Brodrecht, Martin ; Fasel, Claudia ; Hofmann, Kathrin ; Tan, Xijuan ; Gutmann, Torsten ; Buntkowsky, Gerd (2018)
Novel dirhodium coordination polymers: the impact of side chains on cyclopropanation.
In: Catalysis Science & Technology, 8 (20)
doi: 10.1039/c8cy01493k
Article, Bibliographie

Lumb, Ulrich (2018)
Entwicklung einer Molekularstrahlapparatur für die hochaufgelöste Mehrphotonen- ionisations-Spektroskopie isolierter Atome u. Moleküle am Beispiel von Titan(II)oxid.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Lohrenscheit, Marno ; Hess, Christian (2016)
Direct Evidence for the Participation of Oxygen Vacancies in the Oxidation of Carbon Monoxide over Ceria-Supported Gold Catalysts by using Operando Raman Spectroscopy.
In: ChemCatChem, 8 (3)
doi: 10.1002/cctc.201501129
Article, Bibliographie

Lohrenscheit, Marno (2015)
Etablierung einer multi-in situ-Apparatur zur spektroskopischen Untersuchung der CO-Oxidation über Au/CeO2-Nanokatalysatoren.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Langeloth, Michael (2015)
Artificial Entanglements in Polymer Chains.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Lego, D. ; Plaumann, M. ; Trantzschel, T. ; Bargon, J. ; Scheich, H. ; Buntkowsky, G. ; Gutmann, T. ; Sauer, G. ; Bernarding, J. ; Bommerich, U. (2014)
Parahydrogen-induced polarization of carboxylic acids: a pilot study of valproic acid and related structures.
In: Nmr in Biomedicine, 27 (7)
Article, Bibliographie

Laubach, Stefan (2009)
Experimentelle und theoretische Untersuchungen zur Elektronenstruktur der Interkalationsverbindungen NaV2O5, LiCoO2 und LiCoxNi1-xO2.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

López del Amo, J. M. ; Langer, U. ; Torres, V. ; Pietrzak, M. ; Buntkowsky, G. ; Vieth, H. M. ; Shibl, M. F. ; Kuhn, O. ; Broring, M. ; Limbach, H. H. (2009)
Isotope and Phase Effects on the Proton Tautomerism in Polycrystalline Porphycene Revealed by NMR.
In: Journal of Physical Chemistry A, 113 (10)
Article, Bibliographie

López del Amo, J. M. ; Langer, U. ; Torres, V. ; Buntkowsky, G. ; Vieth, H. M. ; Perez-Torralba, M. ; Sanz, D. ; Claramunt, R. M. ; Elguero, J. ; Limbach, H. H. (2008)
NMR studies of ultrafast intramolecular proton tautomerism in crystalline and amorphous - N,N '-diphenyl-6-aminofulvene-1-aldimine: Solid-state, kinetic isotope, and tunneling effects.
In: Journal of the American Chemical Society, 130 (27)
Article, Bibliographie

López del Amo, J. M. ; Buntkowsky, G. ; Limbach, H. H. ; Resa, I. ; Fernandez, R. ; Carmona, E. (2008)
Low-temperature NMR studies of Zn tautomerism and hindered rotations in solid zincocene derivatives.
In: Journal of Physical Chemistry A, 112 (16)
Article, Bibliographie

Lopez, J. M. ; Männle, F. ; Wawer, I. ; Buntkowsky, G. ; Limbach, H. H. (2007)
NMR studies of double proton transfer in hydrogen bonded cyclic N,N '-diarylformamidine dimers: conformational control, kinetic HH/HD/DD isotope effects and tunneling.
In: Physical Chemistry Chemical Physics, 9 (32)
Article, Bibliographie

Limbach, H. H. ; Buntkowsky, G. ; Mathes, J. ; Gründemann, S. ; Pery, T. ; Walaszek, B. ; Chaudret, B. (2006)
Novel insights into the mechanism of the ortho/para spin conversion of hydrogen pairs: Implications for catalysis and interstellar water.
In: Chemphyschem, 7 (3)
Article, Bibliographie

Lopez-Ciudad, T. ; Ramirez, R. ; Schulte, J. ; Böhm, Michael C. (2003)
Anharmonic effects on the structural and vibrational properties of the ethyl radical : a path integral Monte Carlo study.
In: Journal of Chemical Physics, 119
Article, Bibliographie

Langer, U. ; Latanowicz, L. ; Hoelger, C. ; Buntkowsky, G. ; Vieth, H. M. ; Limbach, H. H. (2001)
N-15 and H-2 NMR relaxation and kinetics of stepwise double proton and deuteron transfer in polycrystalline tetraaza14annulene.
In: Physical Chemistry Chemical Physics, 3 (8)
Article, Bibliographie

Lorente, P. ; Shenderovich, I. G. ; Golubev, N. S. ; Denisov, G. S. ; Buntkowsky, G. ; Limbach, H. H. (2001)
H-1/N-15 NMR chemical shielding, dipolar N-15, H-2 coupling and hydrogen bond geometry correlations in a novel series of hydrogen-bonded acid-base complexes of collidine with carboxylic acids.
In: Magnetic Resonance in Chemistry, 39
Article, Bibliographie

Limbach, H. H. ; Ulrich, S. ; Grundemann, S. ; Buntkowsky, G. ; Sabo-Etienne, S. ; Chaudret, B. ; Kubas, G. J. ; Eckert, J. (1998)
NMR and INS line shapes of transition metal hydrides in the presence of coherent and incoherent dihydrogen exchange.
In: Journal of the American Chemical Society, 120 (31)
Article, Bibliographie

Limbach, H. H. ; Scherer, G. ; Meschede, L. ; Aguilar-Parrilla, F. ; Wehrle, B. ; Braun, J. ; Hoelger, Ch. ; Benedict, H. ; Buntkowsky, G. ; Fehlhammer, W. P. ; Elguero, J. ; Smith, J. A. S. ; Chaudret, B. (1993)
NMR Studies of Elementary Steps of Hydrogen Transfer in Condensed Phases.
In: "Ultrafast Reaction Dynamics and Solvent Effects, Experimental and Theoretical Aspects", Ed.: Gauduel,Y. Rossky, P. J, American Inst. of Physics.
Article, Bibliographie

M

Macion, Alexander ; Schäfer, Rolf (2023)
Ionization potentials of metal clusters studied with a broad range, tunable vacuum ultraviolet light source.
In: Review of Scientific Instruments, 94 (6)
doi: 10.1063/5.0151238
Article, Bibliographie

Materzok, Tobias ; De Boer, Danna ; Gorb, Stanislav ; Müller‐Plathe, Florian (2022)
Gecko adhesion on flat and rough surfaces: simulations with a multi‐scale molecular model.
In: Small : nano micro, 18 (35)
doi: 10.1002/smll.202201674
Article, Bibliographie

Masierak, W. ; Emmler, T. ; Buntkowsky, Gerd ; Gutsze, A. (2021)
Influence of Cation Exchange on the ²⁷Al-NMR Spectra of Zeolites.
In: Zeitschrift für Physikalische Chemie, 2003, 217 (12)
doi: 10.26083/tuprints-00019693
Article, Secondary publication, Publisher's Version

Macholl, Sven ; Börner, Frank ; Buntkowsky, Gerd (2021)
Revealing CSA Tensors and Hydrogen Bonding in Methoxycarbonyl Urea: A combined ¹³C, ¹⁵N and ¹³C¹⁴N₂ Dipolar Chemical Shift NMR and DFT Study.
In: Zeitschrift für Physikalische Chemie, 2003, 217 (12)
doi: 10.26083/tuprints-00019692
Article, Secondary publication, Publisher's Version

Müller-Plathe, Florian (2020)
Keine Angst vor der Entropie.
In: Chemie in unserer Zeit, 54 (4)
doi: 10.1002/ciuz.201900060
Article, Bibliographie

Munaò, Gianmarco ; De Nicola, Antonio ; Müller-Plathe, Florian ; Kawakatsu, Toshihiro ; Kalogirou, Andreas ; Milano, Giuseppe (2019)
Influence of Polymer Bidispersity on the Effective Particle–Particle Interactions in Polymer Nanocomposites.
In: Macromolecules, 52 (22)
doi: 10.1021/acs.macromol.9b01367
Article, Bibliographie

Martinaiou, Ioanna ; Shahraei, Ali ; Grimm, Fabian ; Zhang, Hongbin ; Wittich, Carolin ; Klemenz, Sebastian ; Dolique, Stephanie J. ; Kleebe, Hans-Joachim ; Stark, Robert W. ; Kramm, Ulrike I. (2017)
Effect of metal species on the stability of Me-N-C catalysts during accelerated stress tests mimicking the start-up and shut-down conditions.
In: Electrochimica Acta, 243
doi: 10.1016/j.electacta.2017.04.134
Article, Bibliographie

Macholl, S. ; Tietze, D. ; Buntkowsky, G. (2013)
NMR crystallography of amides, peptides and protein-ligand complexes.
In: Crystengcomm, 15 (43)
Article, Bibliographie

Matthes, J. ; Gründemann, S. ; Buntkowsky, G. ; Chaudret, B. ; Limbach, H. H. (2013)
NMR Studies of the Reaction Path of the o-H-2/p-H-2 Spin Conversion Catalyzed by Vaska's Complex in the Solid State.
In: Applied Magnetic Resonance, 44 (1-2)
Article, Bibliographie

Müller, Thomas J. (2010)
Transportphänomene in biologischen Membranen : Simulation von Massen-, Impuls- und Wärmetransport ; Nicht-Gleichgewicht-Simulationen an Zellmembran-Modellsystemen.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Macholl, S. ; Matthes, J. ; Limbach, H. H. ; Sabo-Etienne, S. ; Chaudret, B. ; Buntkowsky, G. (2009)
High-resolution H-2 MAS NMR applied to deuterium analogs of hydrido eta(2)-dihydrogen complexes.
In: Solid State Nuclear Magnetic Resonance, 36 (3)
Article, Bibliographie

Manriquez, R. ; Lopez-Dellamary, F. A. ; Frydel, J. ; Emmler, T. ; Breitzke, H. ; Buntkowsky, G. ; Limbach, H. H. ; Shenderovich, I. G. (2009)
Solid-State NMR Studies of Aminocarboxylic Salt Bridges in L-Lysine Modified Cellulose.
In: Journal of Physical Chemistry B, 113 (4)
Article, Bibliographie

Macholl, S. ; Lentz, D. ; Börner, F. ; Buntkowsky, G. (2007)
Polymorphism of N,N''-diacetylbiuret studied by solid-state C-13 and N-15 NMR spectroscopy, DFT calculations, and X-ray diffraction.
In: Chemistry-a European Journal, 13 (21)
Article, Bibliographie

Meštrić, Hrvoje ; Eichel, Rüdiger-A. ; Dinse, Klaus-Peter ; Ozarowski, Andrew ; Van Tol, Johan ; Brunel, Louis ; Kungl, Hans ; Hoffmann, Michael ; Schönau, Kristin ; Knapp, Michael ; Fuess, Hartmut (2006)
Iron-oxygen vacancy defect association in polycrystalline iron-modified PbZrO3 antiferroelectrics: Multifrequency electron paramagnetic resonance and Newman superposition model analysis.
In: Physical Review B, 73 (18)
doi: 10.1103/PhysRevB.73.184105
Article, Bibliographie

Meštrić, Hrvoje ; Eichel, Rüdiger-A. ; Koss, T. ; Dinse, Klaus-Peter ; Laubach, Sonja ; Laubach, Stefan ; Schmidt, Peter C. ; Schönau, Kristin A. ; Knapp, Michael ; Ehrenberg, Helmut (2005)
Iron-oxygen vacancy defect centers in PbTiO3 : Newman superposition model analysis and density functional calculations.
In: Physical Review B, 71 (13)
doi: 10.1103/PhysRevB.71.134109
Article, Bibliographie

Müller-Plathe, Florian (2005)
Parteien zur Wissenschaft.
In: Nachrichten aus der Chemie, 53
Article, Bibliographie

Mestric, Hrvoje ; Eichel, Rüdiger-A. ; Dinse, Klaus-Peter ; Ozarowski, Andrew ; Van Tol, Johan ; Brunel, Louis Claude (2004)
High-frequency electron paramagnetic resonance investigation of the Fe3+ impurity center in polycrystalline PbTiO3 in its ferroelectric phase.
In: Journal of Applied Physics, 96
Article, Bibliographie

Macholl, S. ; Börner, F. ; Buntkowsky, G. (2004)
Revealing the configuration and crystal packing of organic compounds by solid-state NMR spectroscopy: Methoxycarbonylurea, a case study.
In: Chemistry-a European Journal, 10 (19)
Article, Bibliographie

Masierak, W. ; Emmler, T. ; Gedat, E. ; Schreiber, A. ; Findenegg, G. H. ; Buntkowsky, G. (2004)
Microcrystallization of benzene-d(6) in mesoporous silica revealed by H-2 solid-state nuclear magnetic resonance.
In: Journal of Physical Chemistry B, 108 (49)
Article, Bibliographie

Matthes, J. ; Pery, T. ; Grundemann, S. ; Buntkowsky, G. ; Sabo-Etienne, S. ; Chaudret, B. ; Limbach, H. H. (2004)
Bridging the gap between homogeneous and heterogeneous catalysis: Ortho/para H-2 conversion, hydrogen isotope scrambling, and hydrogenation of olefins by Ir(CO)Cl(PPh3)(2).
In: Journal of the American Chemical Society, 126 (27)
Article, Bibliographie

Müller, M. ; Kast, Stefan Michael ; Bär, Hans-Jürgen ; Brickmann, Jürgen (2003)
Thionine in zeolite NaY : potential energy surface analysis and the identification of adsorption sites.
In: Host guest systems based on nanoporous crystals / Franco Laeri ... (eds.).- Weinheim : Wiley-VCH, 2003, S. 324-338
Article, Bibliographie

Macholl, S. ; Börner, F. ; Buntkowsky, G. (2003)
Revealing CSA tensors and hydrogen bonding in methoxycarbonyl urea: A combined C-13, N-15 and (CN2)-C-13-N-14 dipolar chemical shift NMR and DFT study.
In: Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, 217 (12)
Article, Bibliographie

Masierak, W. ; Emmler, T. ; Buntkowsky, G. ; Gutsze, A. (2003)
Influence of cation exchange on the Al-27-NMR spectra of zeolites.
In: Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, 217 (12)
Article, Bibliographie

Meyer, Carola ; Harneit, Wolfgang ; Lips, Klaus ; Weidinger, Alois ; Jakes, Peter ; Dinse, Klaus-Peter (2002)
Alignment of the enhedral fullerences N@C 60 and N@C 70 in a liquid-crystal matrix.
In: Physical review A, 65
Article, Bibliographie

Müller, Marco ; Kast, Stefan Michael ; Bär, Hans-Jürgen ; Brickmann, Jürgen (2002)
Theoretical study of adsorption sites and thermodynamics of thionic in zeolite NaY.
In: Physical chenistry chemical physics (PCCP), 4
Article, Bibliographie

Marhöfer, Richard J. ; Kast, K. M. ; Schilling, B. ; Bär, H.-J. ; Kast, Stefan Michael ; Brickmann, J. (2000)
Molecular dynamics simulations of tertiary systems of cellohexaose/aliphatic N-oxide/water.
In: Macromolecular chemistry and physics, 201
Article, Bibliographie

Macholl, S. ; Sack, I. ; Limbach, H. H. ; Pauli, J. ; Kelly, M. ; Buntkowsky, G. (2000)
Solid-state NMR study of the SH3 domain of alpha-spectrin: application of C-13-N-15 TEDOR and REDOR.
In: Magnetic Resonance in Chemistry, 38 (7)
Article, Bibliographie

Müller, Marco ; Bär, H.-J. ; Kast, Stefan Michael ; Brickmann, J. (1999)
Ab initio localization of adsorption sites in guest/host systems: application to the system thionine in zeolite NaY.
In: Chemical physics letters, 311
Article, Bibliographie

N

Neuberger, Florian (2023)
Oxidgeträgerte kleine Platincluster und deren Interaktion mit Wasser.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00024750
Ph.D. Thesis, Primary publication, Publisher's Version

Nitsche, David ; Hess, Christian (2016)
Structure of Isolated Vanadia and Titania: A Deep UV-Raman, UV-Vis, and IR Spectroscopic Study.
In: The Journal of Physical Chemistry C, 120 (2)
doi: 10.1021/acs.jpcc.5b10317
Article, Bibliographie

Nitsche, David ; Hess, Christian (2014)
New insight into the structure of dispersed titania by combining normal-mode analysis with experiment.
In: Chem. Phys. Lett, (616-617)
doi: 10.1016/j.cplett.2014.10.042
Article, Bibliographie

Nitsche, David (2014)
Experimentelle und theoretische Untersuchungen zur Schwingungsstruktur von Vanadium- und Titanoxid.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Nitsche, David ; Hess, Christian (2014)
Normal mode analysis of silica-supported vanadium oxide catalysts: Comparison of theory with experiment.
In: Catalysis Communications, 52
doi: 10.1016/j.catcom.2014.04.008
Article, Bibliographie

Nitsche, David ; Hess, Christian (2013)
In situ diagnostics of catalytic materials using tunable confocal Raman spectrocopy.
In: Journal of Raman Spectroscopy, 44 (12)
doi: 10.1002/jrs.4383
Article, Bibliographie

Nottbohm, Christoph T. ; Hess, Christian (2012)
Investigation of ceria by combined Raman, UV-Vis and X-ray photoelectron spectroscopy.
In: Catalysis Communications, 22
doi: 10.1016/j.catcom.2012.02.009
Article, Bibliographie

Nica, S. ; Buchholz, A. ; Rudolph, M. ; Schweitzer, A. ; Waechtler, M. ; Breitzke, H. ; Buntkowsky, G. ; Plass, W. (2008)
Mixed-ligand oxidovanadium(V) complexes with N '-salicylidenehydrazides: Synthesis, structure, and V-51 solid-state MAS NMR investigation.
In: European Journal of Inorganic Chemistry, (14)
Article, Bibliographie

Notni, J. ; Schenk, S. ; Roth, A. ; Plass, W. ; Gorls, H. ; Uhlemann, U. ; Walter, A. ; Schmitt, M. ; Popp, J. ; Chatzipapadopoulos, S. ; Emmler, T. ; Breitzke, H. ; Leppert, J. ; Buntkowsky, G. ; Kempe, K. ; Anders, E. (2006)
Zinc thiolate complexes ZnLn(SR)(+) with azamacrocyclic ligands, part II: Mechanism of the reaction with CS2.
In: European Journal of Inorganic Chemistry, (14)
Article, Bibliographie

Nienhaus, A. ; Hauptmann, R. ; Fässler, Thomas Friedrich (2002)
1 [HgGe 9] 2 - Ein durch Heteroatome kovalent verknüpftes Polymer mit Zintl-Ionen als Bausteine.
In: Angewandte Chemie, 114 (17)
doi: 10.1002/1521-3757(20020902)114:17<3352::AID-ANGE3352>3.0.CO;2-C
Article, Bibliographie

O

Oefner, Niklas ; Shuck, Christopher E. ; Schumacher, Leon ; Heck, Franziska ; Hofmann, Kathrin ; Schmidpeter, Jana ; Li, Weiqun ; Bahri, Mounib ; Mehdi, B. Layla ; Drochner, Alfons ; Albert, Barbara ; Hess, Christian ; Gogotsi, Yury ; Etzold, Bastian J. M. (2023)
MXene aerogel derived ultra-active vanadia catalyst for selective conversion of sustainable alcohols to base chemicals.
In: ACS Applied Materials & Interfaces, 15 (13)
doi: 10.1021/acsami.2c22720
Article, Bibliographie

Oefner, Niklas ; Heck, Franziska ; Dürl, Marcel ; Schumacher, Leon ; Siddiqui, Humera Khatoon ; Kramm, Ulrike I. ; Hess, Christian ; Möller, Angela ; Albert, Barbara ; Etzold, Bastian J. M. (2021)
Activity, selectivity and initial degradation of iron molybdate in the oxidative dehydrogenation of ethanol.
In: ChemCatChem, 14 (4)
doi: 10.1002/cctc.202101219
Article, Bibliographie

Ott, Alexander ; Rogg, Simone ; Lauterbach, Stefan ; Kleebe, Hans-Joachim ; Hess, Christian ; Mera, Gabriela (2020)
Novel 0D-nanocarbon-silica ceramic composites: sol–gel synthesis and high-temperature evolution.
In: Dalton Transactions, 49 (21)
doi: 10.1039/D0DT01016B
Article, Bibliographie

Ober, Patrick ; Rogg, Simone ; Hess, Christian (2020)
Direct Evidence for Active Support Participation in Oxide Catalysis: Multiple Operando Spectroscopy of VOx/Ceria.
In: ACS Catalysis, 10 (5)
doi: 10.1021/acscatal.9b05174
Article, Bibliographie

Ohneiser, Alexander (2011)
Kombination von Ultraschallspektroskopie und Dilatometrie zur Analyse der Strukturbildung während der Kristallisation von Polymeren unter Druck.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Ozensoy, Emrah ; Hess, Christian ; Santra, Ashok K. ; Min, Byoung Koun ; Goodman, D. Wayne
ed.: American Chemical Society (2005)
A Vibrational Spectroscopic Study of the CO + NO Reaction: From Pd Single Crystals at Ultrahigh Vacuum to Pd Clusters Supported on SiO2Thin Films at Elevated Pressures.
In: ACS Symposium Series, Nanotechnology and the Environment, 890
doi: 10.1021/bk-2005-0890.ch039
Article, Bibliographie

Ozensoy, Emrah ; Hess, Christian ; Loffreda, David ; Sautet, Philippe ; Goodman, D. Wayne (2005)
Formation of a High Coverage (3 × 3) NO Phase on Pd(111) at Elevated Pressures: Interplay between Kinetic and Thermodynamic Accessibility.
In: The Journal of Physical Chemistry B, 109 (12)
doi: 10.1021/jp044264+
Article, Bibliographie

Ozensoy, Emrah ; Hess, Christian ; Goodman, D. Wayne (2004)
Understanding the catalytic conversation of automobile exhaust emissions using model catalysts: CO+NO reaction on Pd(111).
In: Topics in Catalysis, 28 (1-4)
Article, Bibliographie

Ozensoy, Emrah ; Hess, Christian ; Goodman, D. Wayne (2002)
Isocyanate Formation in the Catalytic Reaction of CO + NO on Pd(111): An in Situ Infrared Spectroscopic Study at Elevated Pressures.
In: Journal of the American Chemical Society, 124 (29)
doi: 10.1021/ja020571m
Article, Bibliographie

Ostrovsky, S. M. ; Nag, K. ; Haase, W. (2001)
Electronic and vibronic interactions in the mixed valence dimers.
In: Indian journal of physics A, 75 (4)
Article, Bibliographie

P

Pfeiffer, Maximilian ; Hess, Christian (2023)
Unraveling mechanistic differences in optical and electrical sensors: time-resolved operando UV-vis spectroscopy of P-type perovskite gas sensors.
In: The Journal of Physical Chemistry C
doi: 10.1021/acs.jpcc.3c05195
Article, Bibliographie

Pravdivtsev, Andrey N. ; Buntkowsky, Gerd ; Duckett, Simon B. ; Koptyug, Igor V. ; Hövener, Jan‐Bernd (2023)
Parahydrogen‐Induced Polarization of Amino Acids.
In: Angewandte Chemie International Edition, 2021, 60 (44)
doi: 10.26083/tuprints-00024215
Article, Secondary publication, Publisher's Version

Pfeiffer, Maximilian ; Hess, Christian (2022)
Application of Transient Infrared Spectroscopy To Investigate the Role of Gold in Ethanol Gas Sensing over Au/SnO2.
In: The Journal of Physical Chemistry C, 2022
doi: 10.1021/acs.jpcc.1c10384
Article, Bibliographie

Paul George, Ajay Abisheck ; Heimer, Pascal ; Leipold, Enrico ; Schmitz, Thomas ; Kaufmann, Desiree ; Tietze, Daniel ; Heinemann, Stefan H. ; Imhof, Diana (2019)
Effect of conformational diversity on the bioactivity of µ-conotoxin PIIIA disulfide isomers.
In: Marine Drugs, 17 (7)
doi: 10.3390/md17070390
Article, Bibliographie

Pfeiffer, Tobias (2016)
Molecular simulations of lipid bilayers in interactions with gold nanoparticles.
Technische Universität Darmstadt
Master Thesis, Primary publication

Plaumann, M. ; Bommerich, U. ; Trantzschel, T. ; Lego, D. ; Dillenberger, S. ; Sauer, G. ; Bargon, J. ; Buntkowsky, G. ; Bernarding, J. (2013)
Parahydrogen-Induced Polarization Transfer to F-19 in Perfluorocarbons for F-19 NMR Spectroscopy and MRI.
In: Chemistry-a European Journal, 19 (20)
Article, Bibliographie

Petzold, H. ; Weisheit, T. ; Görls, H. ; Breitzke, H. ; Buntkowsky, G. ; Escudero, D. ; Gonzalez, L. ; Weigand, W. (2008)
Selective carbon-carbon bond cleavage of 2,2 '-dibromotolane via photolysis of its appropriate (diphosphine)Pt-0 complex in the solid state.
In: Dalton Transactions, (15)
Article, Bibliographie

Polleux, Julien ; Pinna, Nicola ; Antonietti, Markus ; Hess, Christian ; Wild, Ute ; Schlögl, Robert ; Niederberger, Markus (2005)
Ligand Functionality as a Versatile Tool to Control the Assembly Behavior of Preformed Titania Nanocrystals.
In: Chemistry - A European Journal, 11 (12)
doi: 10.1002/chem.200401050
Article, Bibliographie

Pery, T. ; Pelzer, K. ; Buntkowsky, G. ; Philippot, K. ; Limbach, H. H. ; Chaudret, B. (2005)
Direct NMR evidence for the presence of mobile surface hydrides on ruthenium nanoparticles.
In: Chemphyschem, 6 (4)
Article, Bibliographie

Petkova, A. T. ; Buntkowsky, G. ; Dyda, F. ; Leapman, R. D. ; Yau, W. M. ; Tycko, R. (2004)
Solid state NMR reveals a pH-dependent antiparallel beta-sheet registry in fibrils formed by a beta-amyloid peptide.
In: Journal of Molecular Biology, 335 (1)
Article, Bibliographie

Pietzak, B. ; Weidinger, Alois ; Dinse, Klaus-Peter ; Hirsch, A. (2002)
Group V endohedral fullerences : N@C 60, N@C 70, and P@C 60.
In: Endofullerences : a new family of carbon clusters
Book Section, Bibliographie

R

Rivic, Filip ; Schäfer, Rolf (2024)
Magnetism of single-doped paramagnetic tin clusters studied using temperature-dependent Stern–Gerlach experiments with enhanced sensitivity: impact of the diamagnetic ligand field and paramagnetic dopant.
In: Physical Chemistry Chemical Physics, 26 (17)
doi: 10.1039/D4CP00890A
Article, Bibliographie

Razpopov, Aleksandar ; Kaib, David A. S. ; Backes, Steffen ; Balents, Leon ; Wilson, Stephen D. ; Ferrari, Francesco ; Riedl, Kira ; Valentí, Roser (2023)
A j_eff = 1/2 Kitaev material on the triangular lattice: the case of NaRuO₂.
In: npj Quantum Materials, 8 (36)
doi: 10.1038/s41535-023-00567-6
Article, Bibliographie

Radtke, Mariusz ; Heber, Marcel ; Hess, Christian (2023)
Fundamental understanding of working batteries by in situ and operando Raman spectroelectrochemistry.
In: Encyclopedia of Solid-Liquid Interfaces
doi: 10.1016/B978-0-323-85669-0.00100-8
Book Section, Bibliographie

Rösler, Lorenz ; Höfler, Mark V. ; Breitzke, Hergen ; Wissel, Till ; Herr, Kevin ; Heise, Henrike ; Gutmann, Torsten ; Buntkowsky, Gerd (2023)
Dirhodium complex immobilization on modified cellulose for highly selective heterogeneous cyclopropanation reactions.
In: Cellulose, 2022, 29 (11)
doi: 10.26083/tuprints-00024225
Article, Secondary publication, Publisher's Version

Radtke, Mariusz ; Hess, Christian (2022)
Operando spectroelectrochemistry of bulk-exfoliated 2D SnS2 for anodes within alkali metal ion batteries reveals unusual tin (III) states.
In: Frontiers in Chemistry, 10
doi: 10.3389/fchem.2022.1038327
Article, Bibliographie

Radtke, Mariusz ; Hess, Christian (2022)
Easy-Made Setup for High-Temperature (Up to 1100 °C) Electrochemical Impedance Spectroscopy.
In: Journal of Materials Engineering and Performance, 31
doi: 10.1007/s11665-022-06653-3
Article, Bibliographie

Radtke, Mariusz ; Hess, Christian (2022)
Operando spectroelectrochemistry of bulk-exfoliated 2D SnS₂ for anodes within alkali metal ion batteries reveals unusual tin (III) states.
In: Frontiers in Chemistry, 2022, 10
doi: 10.26083/tuprints-00022830
Article, Secondary publication, Publisher's Version

Radtke, Mariusz ; Kopp, Karl ; Hess, Christian (2021)
Coupling Long‐Range Raman with X‐Ray Photoelectron Spectroscopy for Complementary Bulk and Surface Characterization of Battery Materials.
In: Chemistry–Methods, 2 (1)
doi: 10.1002/cmtd.202100058
Article, Bibliographie

Rogg, Simone ; Hess, Christian (2021)
CO2 as a soft oxidant for propane oxidative dehydrogenation : a mechanistic study using operando UV Raman spectroscopy.
In: Journal of CO2 Utilization, 50
doi: 10.1016/j.jcou.2021.101604
Article, Bibliographie

Roelofs, Frank ; Vogelsberger, Wolfram ; Buntkowsky, Gerd (2021)
Kinetic Size Effect During Dissolution of a Synthetic γ-Alumina.
In: Zeitschrift für Physikalische Chemie, 2008, 222 (8-9)
doi: 10.26083/tuprints-00018894
Article, Secondary publication, Publisher's Version

Radtke, Mariusz ; Hess, Christian (2021)
Operando Raman Shift Replaces Current in Electrochemical Analysis of Li-ion Batteries: A Comparative Study.
In: Molecules, 26 (15)
doi: 10.3390/molecules26154667
Article, Bibliographie

Rondina, Gustavo G. ; Böhm, Michael C. ; Müller-Plathe, Florian (2020)
Predicting the Mobility Increase of Coarse-Grained Polymer Models from Excess Entropy Differences.
In: Journal of Chemical Theory and Computation, 16 (3)
doi: 10.1021/acs.jctc.9b01088
Article, Bibliographie

Rogg, Simone Erika (2020)
Development and Application of Operando Spectroscopy for Vanadium Oxide Catalysts in ODH Reactions: A Comparison of O2 and CO2 as Oxidising Agents.
Technische Universität Darmstadt
doi: 10.25534/tuprints-00011891
Ph.D. Thesis, Primary publication

Ruff, Philip ; Schumacher, Leon ; Rogg, Simone ; Hess, Christian (2019)
Atomic Layer Deposition-assisted synthesis of embedded vanadia catalysts.
In: ACS Catalysis, 9 (7)
doi: 10.1021/acscatal.9b01385
Article, Bibliographie

Ruff, Philip (2019)
Anwendungen der atomaren Gasphasenabscheidung: Komplexe Nanostrukturen im Confinement und getragene Vanadiumoxidkatalysatoren.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Rüttiger, Christian ; Vowinkel, Steffen ; Herzog, Nicole ; Hofmann, Kathrin ; Ionescu, Emanuel ; Gallei, Markus (2019)
POSS-Containing Polymethacrylates on Cellulose-Based Substrates: Immobilization and Ceramic Formation.
In: Coatings, 2018, 8 (12)
doi: 10.3390/coatings8120446
Article, Secondary publication

Ruff, Philip ; Dietz, Christian ; Stark, Robert W. ; Hess, Christian (2018)
Monitoring the Process of Nanocavity Formation on a Monomolecular Level.
In: Zeitschrift für Physikalische Chemie, 232 (7-8)
doi: 10.1515/zpch-2017-1055
Article, Bibliographie

Ruff, Philip ; Carrillo-Solano, Mercedes ; Ulrich, Nils ; Hadley, Andrea ; Kluth, Patrick ; Toimil-Molares, Maria Eugenia ; Trautmann, Christina ; Hess, Christian (2018)
Nanoscale structuring in confined geometries using atomic layer deposition: conformal coating and nanocavity formation.
In: Zeitschrift für Physikalische Chemie, 232 (7-8)
doi: 10.1515/zpch-2017-1058
Article, Bibliographie

Ruff, Philip ; Lauterbach, Stefan ; Kleebe, Hans-Joachim ; Hess, Christian (2016)
Surface structuring of mesoporous materials by controlled synthesis of nanocavities.
In: Microporous and Mesoporous Materials, 235
doi: 10.1016/j.micromeso.2016.08.005
Article, Bibliographie

Roth, Felix ; Waleska, Philipp S. ; Hess, Christian ; Ionescu, Emanuel ; Nicoloso, Norbert (2016)
UV Raman spectroscopy of segregated carbon in silicon oxycarbides.
In: Journal of the Ceramic Society of Japan, 124 (10)
doi: 10.2109/jcersj2.16100
Article, Bibliographie

Rohrmann, Urban (2014)
Das magnetische Verhalten Mangan-dotierter Zinncluster - Der Einfluss von Topologie und Temperatur auf das Ablenkverhalten atomarer Cluster in Stern-Gerlach-Experimenten.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Rennert, T. ; Eusterhues, K. ; Hiradate, S. ; Breitzke, H. ; Buntkowsky, G. ; Totsche, K. U. ; Mansfeldt, T. (2014)
Characterisation of Andosols from Laacher See tephra by wet-chemical and spectroscopic techniques (FTIR, Al-27-, Si-29-NMR).
In: Chemical Geology, 363
Article, Bibliographie

Rafter, E. ; Gutmann, T. ; Low, F. ; Buntkowsky, G. ; Philippot, K. ; Chaudret, B. ; Leeuwen, P. W. N. M. van (2013)
Secondary phosphine oxides as pre-ligands for nanoparticle stabilization.
In: Catalysis Science & Technology, 3 (3)
Article, Bibliographie

Rahimi, Mohammad (2012)
Hybrid Molecular Dynamics – Continuum Mechanics for Polymers.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Ratajczyk, T. ; Gutmann, T. ; Dillenberger, S. ; Abdulhussaein, S. ; Frydel, J. ; Breitzke, H. ; Bommerich, U. ; Trantzschel, T. ; Bernarding, J. ; Magusin, P. C. M. M. ; Buntkowsky, G. (2012)
Time domain para hydrogen induced polarization.
In: Solid State Nuclear Magnetic Resonance, 43-44
Article, Bibliographie

Reutter, S. ; Privalov, A. ; Buntkowsky, G. ; Fujara, F. (2012)
Rotational Resonance in milli-tesla fields detected by Field Cycling NMR.
In: Solid State Nuclear Magnetic Resonance, 41
Article, Bibliographie

Rossinsky, Eduard (2010)
Molecular simulation of transport in liquids and polymers.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Roelofs, F. ; Vogelsberger, W. ; Buntkowsky, G. (2008)
Kinetic Size Effect During Dissolution of a Synthetic gamma-Alumina.
In: Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, 222 (8-9)
Article, Bibliographie

Ramic, E. ; Eichel, Rüdiger-A. ; Dinse, Klaus-Peter ; Titz, A. ; Schmidt, B. (2006)
Complexation of copper(II)-chelidamatea : a multifrequency-pulsed electron paramagnetic resonance and electron nuclear double resonance analysis.
In: Journal of Physical Chemistry B, 110
Article, Bibliographie

Ramirez, R. ; Schulte, J. ; Böhm, Michael C. (2005)
Feynman path integral - ab initio study of the isotropic hyperfine coupling constants of the muonium substituted ethyl radical CH(2)MuCH(2).
In: Chemical Physics Letters, 402
Article, Bibliographie

Rama Rao, K. V. S. ; Ehrenberg, Helmut ; Markandeyulu, G. ; Varadaraju, U. V. ; Venkatesan, M. ; Suresh, K. G. ; Murthy, V. S. ; Schmidt, P. C. ; Fuess, Hartmut (2002)
On the structural and magnetic properties of R2Fe17(A,T,)x [R=rare earth; A=Al, Si, Ga; T=transition metal] compounds.
In: Physica status solidi / A, 189
Article, Bibliographie

Ramírez, Rafael ; Böhm, Michael C. ; Schulte, Joachim (2002)
Feynman path integral - ab initio investigation of the excited-state properties of benzene.
In: Journal of physics B: atomic, molecular and optical physics, 35
Article, Bibliographie

S

Schumacher, Leon (2024)
Mechanistic Insight into Heterogeneous Oxidation Catalysts using Combined Operando and Transient Spectroscopies Supported by DFT.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00026508
Ph.D. Thesis, Primary publication, Publisher's Version

Schumacher, Leon ; Shen, Jun ; Hofmann, Kathrin ; Hess, Christian (2024)
Rational design of vanadia-based propane ODH catalysts: A multiple operando spectroscopic investigation of VOx/TiO2/CeO2.
In: Catalysis Today, 426
doi: 10.1016/j.cattod.2023.114387
Article, Bibliographie

Schumacher, Leon ; Hess, Christian (2024)
Detailed analysis of the Raman vibrational structure of vanadia in VOx/CeO2: a combined experimental and theoretical approach.
In: The Journal of Physical Chemistry C
doi: 10.1021/acs.jpcc.4c01326
Article, Bibliographie

Schumacher, Leon ; Radtke, Mariusz ; Welzenbach, Jan ; Hess, Christian (2023)
Unraveling surface and bulk dynamics of iron(III) molybdate during oxidative dehydrogenation using operando and transient spectroscopies.
In: Communications Chemistry, 6
doi: 10.1038/s42004-023-01028-8
Article, Bibliographie

Schmidt, Torben (2023)
Präparation und Untersuchung von SiO₂ Ultradünnschichten als Clusterträgermaterial.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00024718
Ph.D. Thesis, Primary publication, Publisher's Version

Schumacher, Leon ; Pfeiffer, Johannes ; Shen, Jun ; Gutmann, Torsten ; Breitzke, Hergen ; Buntkowsky, Gerd ; Hofmann, Kathrin ; Hess, Christian (2023)
Collaborative Mechanistic Effects between Vanadia and Titania during the Oxidative Dehydrogenation of Propane Investigated by Operando and Transient Spectroscopies.
In: ACS Catalysis, 13 (12)
doi: 10.1021/acscatal.3c01404
Article, Bibliographie

Schumacher, Leon ; Ziemba, Marc ; Brunnengräber, Kai ; Totzauer, Lea ; Hofmann, Kathrin ; Etzold, Bastian J. M. ; Albert, Barbara ; Hess, Christian (2023)
Understanding the reduction behavior of VOx/CeO2 on a molecular level: combining temperature-programmed reduction with multiple in-situ spectroscopies and x-ray diffraction.
In: The Journal of Physical Chemistry C, 127 (12)
doi: 10.1021/acs.jpcc.3c00622
Article, Bibliographie

Shen, Jun (2023)
In situ characterization during the synthesis and reaction of ceria-based mesoporous catalysts for NH3-selective catalytic reduction (SCR) applications.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00023037
Ph.D. Thesis, Primary publication, Publisher's Version

Schießer, Alexander ; Schäfer, Rolf (2023)
Versatile piezoelectric pulsed molecular beam source for gaseous compounds and organic molecules with femtomole accuracy for UHV and surface science applications.
In: Review of Scientific Instruments, 2009, 80 (8)
doi: 10.26083/tuprints-00024249
Article, Secondary publication, Postprint

Schießer, Alexander ; Hörtz, Peter ; Schäfer, Rolf (2023)
Thermodynamics and kinetics of CO and benzene adsorption on Pt(111) studied with pulsed molecular beams and microcalorimetry.
In: Surface Science, 2010, 604 (23-24)
doi: 10.26083/tuprints-00024246
Article, Secondary publication, Postprint

Steinrücken, Elisa ; Wissel, Till ; Brodrecht, Martin ; Breitzke, Hergen ; Regentin, Julia ; Buntkowsky, Gerd ; Vogel, Michael (2023)
²H NMR study on temperature-dependent water dynamics in amino-acid functionalized silica nanopores.
In: The Journal of Chemical Physics, 2021, 154 (11)
doi: 10.26083/tuprints-00024214
Article, Secondary publication, Publisher's Version

Sattig, Matthias ; Reutter, Stefan ; Fujara, Franz ; Werner, Mayke ; Buntkowsky, Gerd ; Vogel, Michael (2023)
NMR studies on the temperature-dependent dynamics of confined water.
In: Physical Chemistry Chemical Physics, 2014, 16 (36)
doi: 10.26083/tuprints-00024211
Article, Secondary publication, Publisher's Version

Schneider, Sarah ; Säckel, Christoph ; Brodrecht, Martin ; Breitzke, Hergen ; Buntkowsky, Gerd ; Vogel, Michael (2023)
NMR studies on the influence of silica confinements on local and diffusive dynamics in LiCl aqueous solutions approaching their glass transitions.
In: The Journal of Chemical Physics, 2020, 153 (24)
doi: 10.26083/tuprints-00024229
Article, Secondary publication, Publisher's Version

Shen, Jun ; Lauterbach, Stefan ; Hess, Christian (2022)
Rational Design of Mesoporous CuO–CeO2 Catalysts for NH3-SCR Applications Guided by Multiple In Situ Spectroscopies.
In: ACS Applied Materials & Interfaces, 14 (38)
doi: 10.1021/acsami.2c13367
Article, Bibliographie

Schumacher, Leon ; Weyel, Jakob ; Hess, Christian (2022)
Unraveling the Active Vanadium Sites and Adsorbate Dynamics in VOx/CeO2 Oxidation Catalysts Using Transient IR Spectroscopy.
In: Journal of the American Chemical Society, 144 (32)
doi: 10.1021/jacs.2c06303
Article, Bibliographie

Schmatz‐Engert, Patrick ; Herold, Felix ; Heinschke, Silvio ; Totzauer, Lea ; Hofmann, Kathrin ; Drochner, Alfons ; Weidenkaff, Anke ; Schneider, Jörg J. ; Albert, Barbara ; Qi, Wei ; Etzold, Bastian J. M. (2022)
Oxygen‐Functionalized Boron Nitride for the Oxidative Dehydrogenation of Propane – The Case for Supported Liquid Phase Catalysis.
In: ChemCatChem, 14 (8)
doi: 10.1002/cctc.202200068
Article, Bibliographie

Schäfer, Timmy ; Buntkowsky, Gerd ; Gutmann, Torsten (2022)
Solid-State Nuclear Magnetic Resonance as a Versatile Tool To Identify the Main Chemical Components of Epoxy-Based Thermosets.
In: ACS Omega, 2020, 5 (10)
doi: 10.26083/tuprints-00018891
Article, Secondary publication, Publisher's Version

Shen, Jun ; Hess, Christian (2021)
Controlling the dispersion of ceria using nanoconfinement: application to CeO2/SBA-15 catalysts for NH3-SCR.
In: Materials Advances, 22 (2)
doi: 10.1039/d1ma00658d
Article, Bibliographie

Schumacher, Leon ; Hess, Christian (2021)
The active role of the support in propane ODH over VOx/CeO2 catalysts studied using multiple operando spectroscopies.
In: Journal of Catalysis, 398
doi: 10.1016/j.jcat.2021.04.006
Article, Bibliographie

Schäfer, Timmy (2021)
Festkörper-NMR- und DNP-Untersuchungen an anorganisch-organischen Funktionsmaterialien.
Technische Universität Darmstadt
Ph.D. Thesis, Bibliographie

Shen, Jun ; Hess, Christian (2021)
High Surface Area VOₓ/TiO₂/SBA-15 Model Catalysts for Ammonia SCR Prepared by Atomic Layer Deposition.
In: Catalysts, 2020, 10 (12)
doi: 10.26083/tuprints-00019276
Article, Secondary publication, Publisher's Version

Schneider, Hendrik ; Englert, Simon ; Macarrón Palacios, Arturo ; Lerma Romero, Jorge Alberto ; Ali, Ataurehman ; Avrutina, Olga ; Kolmar, Harald (2021)
Synthetic Integrin-Targeting Dextran-Fc Hybrids Efficiently Inhibit Tumor Proliferation In Vitro.
In: Frontiers in Chemistry, 2021, 9
doi: 10.26083/tuprints-00019433
Article, Secondary publication, Publisher's Version

Sousa Amadeu, Nader de ; Grünberg, Bob ; Frydel, Jarek ; Werner, Mayke ; Limbach, Hans-Heinrich ; Breitzke, Hergen ; Buntkowsky, Gerd (2021)
Melting of Low Molecular Weight Compounds in Confinement Observed by ²H-Solid State NMR: Biphenyl, a Case Study.
In: Zeitschrift für Physikalische Chemie, 2012, 226 (11-12)
doi: 10.26083/tuprints-00019687
Article, Secondary publication, Publisher's Version

Schneider, Jurek (2021)
Development and Application of Multiscale Methods for Simulating Polymer Properties.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00019100
Ph.D. Thesis, Primary publication, Publisher's Version

Schneider, S. ; Säckel, C. ; Brodrecht, M. ; Breitzke, H. ; Buntkowsky, G. ; Vogel, M. (2020)
NMR studies on the influence of silica confinements on local and diffusive dynamics in LiCl aqueous solutions approaching their glass transitions.
In: The Journal of Chemical Physics, 153 (24)
doi: 10.1063/5.0036079
Article, Bibliographie

Shen, Jun ; Hess, Christian (2020)
High Surface Area VOx/TiO2/SBA-15 Model Catalysts for Ammonia SCR Prepared by Atomic Layer Deposition.
In: Catalysts, 10 (12)
doi: 10.3390/catal10121386
Article, Bibliographie

Schilling, Christian ; Ziemba, Marc ; Hess, Christian ; Ganduglia-Pirovano, M. Verónica (2020)
Identification of single-atom active sites in CO oxidation over oxide-supported Au catalysts.
In: Journal of Catalysis, 383
doi: 10.1016/j.jcat.2020.01.022
Article, Bibliographie

Sander, Oxana (2020)
Aufbau und Erprobung einer Ionenstrahl-Apparatur für die Bestimmung von Bindungsdissoziationsenergien.
Technische Universität Darmstadt
doi: 10.25534/tuprints-00011639
Ph.D. Thesis, Primary publication

Schneider, Jurek ; Süss, Leonard D. ; Müller-Plathe, Florian (2020)
The Influence of Entanglements on the Dynamics of Flash Nanoprecipitation: A Slip-Spring Dissipative-Particle-Dynamics Investigation.
In: Journal of Chemical & Engineering Data, 65 (3)
doi: 10.1021/acs.jced.9b00679
Article, Bibliographie

Schilling, Christian ; Hess, Christian (2019)
Elucidating the Role of Support Oxygen in the Water–Gas Shift Reaction over Ceria-Supported Gold Catalysts Using Operando Spectroscopy.
In: ACS Catalysis
doi: 10.1021/acscatal.8b04536
Article, Bibliographie

Schilling, Christian ; Hess, Christian (2018)
Real-Time Observation of the Defect Dynamics in Working Au/CeO2 Catalysts by Combined Operando Raman/UV-Vis Spectroscopy.
In: The Journal of Physical Chemistry C, 5 (122)
doi: 10.1021/acs.jpcc.8b00027
Article, Bibliographie

Schilling, Christian Michael (2018)
Operando Spectroscopy and DFT Modeling of Gold/Ceria Catalysts for CO Oxidation and Water-Gas Shift Reaction.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Schilling, Christian ; Ganduglia-Pirovano, Maria Verónica ; Hess, Christian (2018)
Experimental and Theoretical Study on the Nature of Adsorbed Oxygen Species on Shaped Ceria Nanoparticles.
In: The Journal of Physical Chemistry Letters, 9 (22)
doi: 10.1021/acs.jpclett.8b02728
Article, Bibliographie

Schilling, Christian ; Hess, Christian (2017)
CO Oxidation on Ceria Supported Gold Catalysts Studied by Combined Operando Raman/UV–Vis and IR Spectroscopy.
In: Topics in Catalysis, 60 (1)
doi: 10.1007/s11244-016-0732-6
Article, Bibliographie

Sauer, Grit (2017)
NMR sensitivity enhancement of functional biomolecules : Design and development of PHIP-based hyperpolarization approaches.
Technische Universität Darmstadt
Ph.D. Thesis, Bibliographie

Schilling, Christian ; Hofmann, Alexander ; Hess, Christian ; Ganduglia-Pirovano, M. Veronica (2017)
Raman Spectra of Polycrystalline CeO2: A Density Functional Theory Study.
In: The Journal of Physical Chemistry C, 121 (38)
doi: 10.1021/acs.jpcc.7b06643
Article, Bibliographie

Stranz, Dominic (2017)
Untersuchung der Einspeicherung von Stickstoffoxiden in Cerdioxid mittels simultaner Raman- und Gasphasen-FTIR-Spektroskopie.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Srour, Mohamad (2017)
Structure and activity investigation of new immobilized Wilkinson´s type catalysts.
Technische Universität Darmstadt
Ph.D. Thesis, Bibliographie

Shayeghi, Armin (2016)
Bindungsverhältnisse und optisches Verhalten kleinster Gold-Silber-Legierungsbausteine.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Silies, Laura ; Didzoleit, Haiko ; Hess, Christian ; Stühn, B. ; Andrieu-Brunsen, Annette (2015)
Mesoporous Thin Films, Zwitterionic Monomers, and Iniferter-Initiated Polymerization: Polymerization in a Confined Space.
In: Chemistry of Materials, 27 (6)
doi: 10.1021/cm503748d
Article, Bibliographie

Sobel, Nicolas ; Hess, Christian (2015)
Nano-laminating of SiO2 and TiO2: Atomic layer deposition as a tool to gain new insight into interfaces.
In: MRS Proceedings, 1805
doi: 10.1557/opl.2015.554
Article, Bibliographie

Sobel, Nicolas ; Hess, Christian ; Lukas, Manuela ; Spende, Anne ; Stühn, B. ; Toimil-Molares, M. E. ; Trautmann, Christina (2015)
Conformal SiO2 coating of sub-100 nm diameter channels of polycarbonate etched ion-track channels by atomic layer deposition.
In: Beilstein Journal of Nanotechnology, 6
doi: 10.3762/bjnano.6.48
Article, Bibliographie

Sobel, Nicolas Benedikt Markus (2015)
Entwicklung einer Anlage zur thermischen Atomlagenabscheidung von nanoskaligen Metalloxiden auf poröse Substrate.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Spende, Anne ; Sobel, Nicolas ; Lukas, Manuela ; Zierold, Robert ; Riedl, Jesse C. ; Gura, Leonard ; Schubert, Ina ; Moreno, Josep M. Montero ; Nielsch, Kornelius ; Stühn, B. ; Hess, Christian ; Trautmann, Christina ; Toimil-Molares, Maria E. (2015)
TiO₂, SiO₂, and Al₂O₃ coated nanopores and nanotubes produced by ALD in etched ion-track membranes for transport measurements.
In: Nanotechnology, 26 (33)
doi: 10.1088/0957-4484/26/33/335301
Article, Bibliographie

Sobel, Nicolas ; Hess, Christian (2015)
Nanoskalige Oberflächenstrukturierung mittels Atomlagenabscheidung.
In: Angewandte Chemie, 127 (50)
doi: 10.1002/ange.201503680
Article, Bibliographie

Sobel, Nicolas ; Hess, Christian (2015)
Nanoscale Structuring of Surfaces by Using Atomic Layer Deposition.
In: Angewandte Chemie International Edition, 54 (50)
doi: 10.1002/anie.201503680
Article, Bibliographie

Sänze, Sandra (2014)
Synthese, Charakterisierung und in situ spektroskopische Studie des Ethanol-Gassensormechanismus von Indiumoxid.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Spende, A. ; Alber, I. ; Sobel, N. ; Hess, Christian ; Lukas, M. ; Stühn, B. ; Zierold, R. ; Montero Moreno, J. M. ; Nielsch, K. ; Trautmann, C. ; Toimil-Molares, M. E. (2014)
High aspect ratio nanotubes fabricated by ion-track technology and atomic layer deposition.
Report, Bibliographie

Sänze, Sandra ; Hess, Christian (2014)
Ethanol Gas Sensing by Indium Oxide: an Operando Spectroscopic Raman-FTIR Study.
In: The Journal of Physical Chemistry C, 118 (44)
doi: 10.1021/jp509068s
Article, Bibliographie

Sattig, Matthias ; Reutter, Stefan ; Fujara, Franz ; Werner, Mayke ; Buntkowsky, Gerd ; Vogel, Michael (2014)
NMR studies on the temperature-dependent dynamics of confined water.
In: Physical Chemistry Chemical Physics, 16 (36)
doi: 10.1039/C4CP02057J
Article, Bibliographie

Sänze, Sandra ; Gurlo, Aleksander ; Hess, Christian (2013)
Monitoring Gas Sensors at Work: Operando Raman-FTIR Study of Ethanol Detection by Indium Oxide.
In: Angewandte Chemie International Edition, 52 (13)
doi: 10.1002/anie.201207258
Article, Bibliographie

Seifollahi Bazarjani, Mahdi ; Hojamberdiev, Mirabbos ; Morita, Koji ; Zhu, Gangqiang ; Cherkashinin, Gennady ; Fasel, Claudia ; Herrmann, Thomas ; Breitzke, Hergen ; Gurlo, Aleksander ; Riedel, Ralf (2013)
Visible Light Photocatalysis with c-WO3–x/WO3×H2O Nanoheterostructures In Situ Formed in Mesoporous Polycarbosilane-Siloxane Polymer.
In: Journal of the American Chemical Society, 135 (11)
doi: 10.1021/ja3126678
Article, Bibliographie

Sänze, Sandra ; Gurlo, Aleksander ; Hess, Christian (2013)
Beobachtung von Gassensoren während des Betriebs: Operando Raman-FTIR-Studie zur Ethanol-Detektion durch Indiumoxid.
In: Angewandte Chemie, 125 (13)
doi: 10.1002/ange.201207258
Article, Bibliographie

Sänze, Sandra ; Hess, Christian (2012)
Operando spectroscopic study of the EtOH gas sensing mechanism of In2O3.
In: IMCS 2012 - Proceedings
doi: 10.5162/IMCS2012/7.3.1
Article, Bibliographie

Schießer, Alexander (2011)
Aufbau und Erprobung einer Apparatur zur kalorimetrischen Messung von Adsorptionsenthalpien an Einkristallen.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Schlögl, Robert ; Hess, Christian
eds.: Hess, Christian ; Schlögl, R. (2011)
Characteristics of selective oxidation reactions.
In: Nanostructured Catalysts: Selective Oxidations
doi: 10.1039/9781847559876-00355
Book Section, Bibliographie

Schäfer, Sascha (2008)
Der Stark-Effekt als Werkzeug zur Strukturaufklärung isolierter Cluster.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Schwarz, O. ; Frank, B. ; Hess, Christian ; Schomäcker, R. (2008)
Characterization and catalytic testing of VOx/Al2O3 catalysts for microstructured reactors.
In: Catalysis Communications, 9 (2)
doi: 10.1016/j.catcom.2007.06.009
Article, Bibliographie

Schwarz, O. ; Habel, D. ; Ovsitser, O. ; Kondratenko, E. V. ; Hess, Christian ; Schomäcker, R. ; Schubert, H. (2008)
Impact of preparation method on physico-chemical and catalytic properties of VOx/γ-Al2O3 materials.
In: Journal of Molecular Catalysis A: Chemical, 293 (1-2)
doi: 10.1016/j.molcata.2008.07.009
Article, Bibliographie

Schroeder, F. ; Esken, D. ; Cokoja, M. ; Berg, M. W. E. van den ; Lebedev, O. I. ; van Tendeloo, G. ; Walaszek, B. ; Buntkowsky, G. ; Limbach, H. H. ; Chaudret, B. ; Fischer, R. A. (2008)
Ruthenium nanoparticles inside porous Zn4O(bdC)(3) by hydrogenolysis of adsorbed Ru(cod)(cot): A solid-state reference system for surfactant-stabilized ruthenium colloids.
In: Journal of the American Chemical Society, 130 (19)
Article, Bibliographie

Schweitzer, A. ; Gutmann, T. ; Wächtler, M. ; Breitzke, H. ; Buchholz, A. ; Plass, W. ; Buntkowsky, G. (2008)
V-51 solid-state NMR investigations and DFT studies of model compounds for vanadium haloperoxidases.
In: Solid State Nuclear Magnetic Resonance, 34 (1-2)
Article, Bibliographie

Sharif, S. ; Fogle, E. ; Toney, M. D. ; Denisov, G. S. ; Shenderovich, I. G. ; Buntkowsky, G. ; Tolstoy, P. M. ; Huot, M. C. ; Limbach, H. H. (2007)
NMR localization of protons in critical enzyme hydrogen bonds.
In: Journal of the American Chemical Society, 129 (31)
Article, Bibliographie

Shenderovich, I. G. ; Mauder, D. ; Akcakayiran, D. ; Buntkowsky, G. ; Limbach, H. H. ; Findenegg, G. H. (2007)
NMR provides checklist of generic properties for atomic-scale models of periodic mesoporous silicas.
In: Journal of Physical Chemistry B, 111 (42)
Article, Bibliographie

Schulte, Joachim ; Ramirez, Rafael ; Böhm, Michael C. (2006)
Influence of nuclear fluctuations on the NMR parameters of bullvalene : A Feynman path integral - Ab initio study.
In: Chemical Physics Letters, 432
Article, Bibliographie

Schulte, J. ; Böhm, Michael C. ; Ramirez, R. ; Lopez-Ciudad, T. (2005)
Theoretical study on the nuclear degrees of freedom in the isotropic and anisotropic hyperfine coupling constants of the C2H5 radical : a Feynman path integral-density functional approach.
In: Molecular Physics, 103
Article, Bibliographie

Schulte, J. ; Böhm, Michael C. ; Lopez-Ciudad, T. ; Ramirez, R. (2004)
Nuclear degrees of freedom in calculated isotropic hyperfine coupling constants of the ethyl radical : a Feynman path integral - ab initio study.
In: Chemical Physics Letters, 389
Article, Bibliographie

Sack, I. ; Gedat, E. ; Bernarding, J. ; Buntkowsky, G. ; Braun, J. (2004)
Magnetic resonance elastography and diffusion-weighted imaging of the sol/gel phase transition in agarose.
In: Journal of Magnetic Resonance, 166 (2)
Article, Bibliographie

Shenderovich, I. G. ; Buntkowsky, G. ; Schreiber, A. ; Gedat, E. ; Sharif, S. ; Albrecht, J. ; Golubev, N. S. ; Findenegg, G. H. ; Limbach, H. H. (2003)
Pyridine-N-15 - A mobile NMR sensor for surface acidity and surface defects of mesoporous silica.
In: Journal of Physical Chemistry B, 107 (43)
Article, Bibliographie

Schmidt, Karl Friedemann ; Kast, Stefan Michael (2002)
Hybrid integral equation/MonteCarlo approach to complexation thermodynamics.
In: Journal of physics B, 106
Article, Bibliographie

Sack, I. ; Buntkowsky, G. ; Bernarding, J. ; Braun, J. (2001)
Magnetic resonance elastography: A method for the noninvasive and spatially resolved observation of phase transitions in gels.
In: Journal of the American Chemical Society, 123 (44)
Article, Bibliographie

Sack, I. ; Buntkowsky, G. ; Bernarding, J. ; Tolxdorff, T. ; Braun, J. (2001)
New approach for analyzing magnetic resonance elastography images.
In: Medical Imaging 2001: Physics of Medical Imaging, 2 (25)
Article, Bibliographie

Sack, I. ; Macholl, S. ; Fuhrhop, J. H. ; Buntkowsky, G. (2000)
Conformational studies of polymorphic N-octyl-D-gluconamide with N-15 (labeled) C-13 (natural abundance) REDOR spectroscopy.
In: Physical Chemistry Chemical Physics, 2 (8)
Article, Bibliographie

Saal, Christoph ; Böhm, Michael C. ; Haase, W. (1999)
Molecular orbital-theoretical studies of a dinuclear Fe(II)-Fe(III) complex.
In: Inorganica chimica acta, 291
Article, Bibliographie

Sack, I. ; Goldbourt, A. ; Vega, S. ; Buntkowsky, G. (1999)
Deuterium REDOR: Principles and applications for distance measurements.
In: Journal of Magnetic Resonance, 138 (1)
Article, Bibliographie

Sack, I. ; Macholl, S. ; Wehrmann, F. ; Albrecht, J. ; Limbach, H. H. ; Fillaux, F. ; Baron, M. H. ; Buntkowsky, G. (1999)
A N-15-H-1 dipolar CSA solid-state NMR study of polymorphous polyglycine (-CO-CD2-(NH)-N-15-)(n).
In: Applied Magnetic Resonance, 17 (2-3)
Article, Bibliographie

Schimming, V. ; Hoelger, C. G. ; Buntkowsky, G. ; Sack, I. ; Fuhrhop, J. H. ; Rocchetti, S. ; Limbach, H. H. (1999)
Evidence by N-15 CPMAS and N-15-C-13 REDOR NMR for fixation of atmospheric CO2 by amino groups of biopolymers in the solid state.
In: Journal of the American Chemical Society, 121 (20)
Article, Bibliographie

Saal, Christoph ; Weiden, N. ; Dinse, Klaus-Peter ; Weiden, N. ; Dinse, Klaus-Peter (1996)
Zero--field optical detected magnetic resonance of [70]-fullerene.
In: Applied magnetic resonance. 11 (1996), S. 335-350
Article, Bibliographie

T

Theiß, Franziska (2024)
Aufbau und Anwendung einer Apparatur zur parawasserstoffgestützten Hyperpolarisation von Protonen und Heterokernen.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00026755
Ph.D. Thesis, Primary publication, Publisher's Version

Tripathy, Madhusmita ; Bharadwaj, Swaminath ; Shadrack Jabes, Barnabas ; Vegt, Nico F. A. van der (2021)
Characterizing Polymer Hydration Shell Compressibilities with the Small-System Method.
In: Nanomaterials, 2020, 10 (8)
doi: 10.26083/tuprints-00018651
Article, Secondary publication, Publisher's Version

Torres, Verónica ; Lopez, Juan-Miguel ; Langer, Uwe ; Buntkowsky, Gerd ; Vieth, Hans-Martin ; Elguero, José ; Limbach, Hans-Heinrich (2021)
Kinetics of Coupled Double Proton and Deuteron Transfer in Hydrogen-Bonded Ribbons of Crystalline Pyrazole-4-carboxylic Acid.
In: Zeitschrift für Physikalische Chemie, 2012, 226 (11-12)
doi: 10.26083/tuprints-00019686
Article, Secondary publication, Publisher's Version

Tran, Minh H. ; Brilmayer, Robert ; Liu, Lei ; Zhuang, Houlong ; Hess, Christian ; Andrieu-Brunsen, Annette ; Birkel, Christina S. (2020)
Synthesis of a Smart Hybrid MXene with Switchable Conductivity for Temperature Sensing.
In: ACS Applied Nano Materials, 3 (5)
doi: 10.1021/acsanm.0c00118
Article, Bibliographie

Tan, Shulin (2017)
Synthesis and in-depth analysis of natural and engineered cystine-knot miniproteins.
Technische Universität Darmstadt
Ph.D. Thesis, Bibliographie

Tietze, Daniel ; Sartorius, Jana ; Koley Seth, Banabithi ; Herr, Kevin ; Heimer, Pascal ; Imhof, Diana ; Mollenhauer, Doreen ; Buntkowsky, Gerd (2017)
New insights into the mechanism of nickel superoxide degradation from studies of model peptides.
In: Scientific Reports, 7 (1)
doi: 10.1038/s41598-017-17446-3
Article, Bibliographie

Tietze, D. ; Voigt, S. ; Mollenhauer, D. ; Buntkowsky, G. (2014)
NMR Crystallography as a Novel Tool for the Understanding of the Mode of Action of Enzymes: SOD a Case Study.
In: Applied Magnetic Resonance, 45 (9)
Article, Bibliographie

Taherian, Fereshte (2013)
Molecular Perspective of Static Wetting: Simulation and Theory.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Thielemann, Jörg P. ; Hess, Christian (2013)
Monitoring Silica Supported Molybdenum Oxide Catalysts at Work: A Raman Spectroscopic Study.
In: ChemPhysChem, 14
doi: 10.1002/cphc.201200648
Article, Bibliographie

Trantzschel, T. ; Plaumann, M. ; Bernarding, J. ; Lego, D. ; Ratajczyk, T. ; Dillenberger, S. ; Buntkowsky, G. ; Bargon, J. ; Bommerich, U. (2013)
Application of Parahydrogen-Induced Polarization to Unprotected Dehydroamino Carboxylic Acids.
In: Applied Magnetic Resonance, 44 (1-2)
Article, Bibliographie

Thielemann, Jörg P. ; Hess, Christian (2012)
Structure of silica-supported molybdenum oxide studied by in situ spectroscopy under reactive and non-reactive conditions.
In: Journal of Catalysis, 288
doi: 10.1016/j.jcat.2012.01.007
Article, Bibliographie

Tietze, A. A. ; Tietze, D. ; Ohlenschlager, O. ; Leipold, E. ; Ullrich, F. ; Kühl, T. ; Mischo, A. ; Buntkowsky, G. ; Gorlach, M. ; Heinemann, S. H. ; Imhof, D. (2012)
Structurally Diverse mu-Conotoxin PIIIA Isomers Block Sodium Channel NaV1.4.
In: Angewandte Chemie-International Edition, 51 (17)
Article, Bibliographie

Tischler, M. ; Nasu, D. ; Empting, M. ; Schmelz, S. ; Heinz, D. W. ; Rottmann, P. ; Kolmar, H. ; Buntkowsky, G. ; Tietze, D. ; Avrutina, O. (2012)
Braces for the Peptide Backbone: Insights into Structure-Activity Relationships of Protease Inhibitor Mimics with Locked Amide Conformations.
In: Angewandte Chemie-International Edition, 51 (15)
Article, Bibliographie

Torres, V. ; Lopez, J. M. ; Langer, U. ; Buntkowsky, G. ; Vieth, H. M. ; Elguero, J. ; Limbach, H. H. (2012)
Kinetics of Coupled Double Proton and Deuteron Transfer in Hydrogen-Bonded Ribbons of Crystalline Pyrazole-4-carboxylic Acid.
In: Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, 226 (11-12)
Article, Bibliographie

Trantzschel, T. ; Bernarding, J. ; Plaumann, M. ; Lego, D. ; Gutmann, T. ; Ratajczyk, T. ; Dillenberger, S. ; Buntkowsky, G. ; Bargon, J. ; Bommerich, U. (2012)
Parahydrogen induced polarization in face of keto-enol tautomerism: proof of concept with hyperpolarized ethanol.
In: Physical Chemistry Chemical Physics, 14 (16)
Article, Bibliographie

Thielemann, Jörg P. ; Weinberg, Gisela ; Hess, Christian (2011)
Controlled synthesis and characterization of highly dispersed molybdenum oxide supported on silica SBA-15.
In: ChemCatChem
doi: 10.1002/cctc.201100154
Article, Bibliographie

Thielemann, Jörg P. ; Girgsdies, Frank ; Schlögl, Robert ; Hess, Christian (2011)
Pore structure and surface area of silica SBA-15: influence of washing and scale-up.
In: Beilstein Journal of Nanotechnology, 2
doi: 10.3762/bjnano.2.13
Article, Bibliographie

Thielemann, Jörg P. ; Ressler, Thorsten ; Walter, Anke ; Tzolova-Müller, Genka ; Hess, Christian (2011)
Structure of molybdenum oxide supported on silica SBA-15 studied by Raman, UV-Vis and X-ray absorption spectroscopy.
In: Applied Catalysis A: General, 399
doi: 10.1016/j.apcata.2011.03.032
Article, Bibliographie

Tietze, D. ; Voigt, S. ; Mollenhauer, D. ; Tischler, M. ; Imhof, D. ; Gutmann, T. ; Gonzalez, L. ; Ohlenschläger, O. ; Breitzke, H. ; Gorlach, M. ; Buntkowsky, G. (2011)
Revealing the Position of the Substrate in Nickel Superoxide Dismutase: A Model Study.
In: Angewandte Chemie-International Edition, 50 (13)
Article, Bibliographie

Thielemann, Jörg P. ; Kröhnert, Jutta ; Hess, Christian (2010)
Nitric Oxide Adsorption and Oxidation on SBA-15 Supported Molybdenum Oxide: A Transmission IR Study.
In: The Journal of Physical Chemistry C, 114 (40)
doi: 10.1021/jp1038046
Article, Bibliographie

Tietze, D. ; Tischler, M. ; Voigt, S. ; Imhof, D. ; Ohlenschlager, O. ; Görlach, M. ; Buntkowsky, G. (2010)
Development of a Functional cis-Prolyl Bond Biomimetic and Mechanistic Implications for Nickel Superoxide Dismutase.
In: Chemistry-a European Journal, 16 (25)
Article, Bibliographie

Tessonnier, Jean-Philippe ; Rosenthal, Dirk ; Hansen, Thomas W. ; Hess, Christian ; Schuster, Manfred E. ; Blume, Raoul ; Girgsdies, Frank ; Pfänder, Norbert ; Timpe, Olaf ; Su, Dang Sheng (2009)
Analysis of the structure and chemical properties of some commercial carbon nanostructures.
In: Carbon, 47 (7)
doi: 10.1016/j.carbon.2009.02.032
Article, Bibliographie

Tietze, D. ; Breitzke, H. ; Imhof, D. ; Kothe, E. ; Weston, J. ; Buntkowsky, G. (2009)
New Insight into the Mode of Action of Nickel Superoxide Dismutase by Investigating Metallopeptide Substrate Models.
In: Chemistry-a European Journal, 15 (2)
Article, Bibliographie

Turra, Mike (2008)
Aufbau und Erprobung einer Molekularstrahlapparatur für die Präparation, Massenselektion, Deposition und Oberflächenstreuung von reinen und legierten Blei- und Zinnclusterkationen.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Tayefeh, Sascha ; Kloss, T. ; Thiel, Gerhard ; Hertel, Brigitte ; Moroni, Anna ; Kast, Stefan Michael (2007)
Molecular dynamics simulation of the cytosolic mouth in Kcv-type potassium channels.
In: Biochemistry, 46
Article, Bibliographie

Tao, Andrea ; Kim, Franklin ; Hess, Christian ; Goldberger, Joshua ; He, Rongrui ; Sun, Yugang ; Xia, Younan ; Yang, Peidong (2003)
Langmuir−Blodgett Silver Nanowire Monolayers for Molecular Sensing Using Surface-Enhanced Raman Spectroscopy.
In: Nano Letters, 3 (9)
doi: 10.1021/nl0344209
Article, Bibliographie

U

Ulrich, Nils ; Spende, Anne ; Burr, Loïc ; Sobel, Nicolas ; Schubert, Ina ; Hess, Christian ; Trautmann, Christina ; Toimil-Molares, Maria Eugenia (2021)
Conical Nanotubes Synthesized by Atomic Layer Deposition of Al2O3, TiO2, and SiO2 in Etched Ion-Track Nanochannels.
In: Nanomaterials, 11 (8)
doi: 10.3390/nano11081874
Article, Bibliographie

V

Vyalikh, A. ; Emmler, Th. ; Grünberg, B. ; Xu, Y. ; Shenderovich, Ilja ; Findenegg, Gerhard H. ; Limbach, Hans-Heinrich ; Buntkowsky, Gerd (2021)
Hydrogen Bonding of Water Confined in Controlled-Pore Glass 10-75 Studied by ¹H-Solid State NMR.
In: Zeitschrift für Physikalische Chemie, 2007, 221 (1)
doi: 10.26083/tuprints-00019690
Article, Secondary publication, Publisher's Version

Vowinkel, Steffen ; Boehm, Anna ; Schäfer, Timmy ; Gutmann, Torsten ; Ionescu, Emanuel ; Gallei, Markus (2018)
Preceramic core-shell particles for the preparation of hybrid colloidal crystal films by melt-shear organization and conversion into porous ceramics.
In: Materials & Design, 160
doi: 10.1016/j.matdes.2018.10.032
Article, Bibliographie

Vowinkel, Steffen ; Paul, Stephen ; Gutmann, Torsten ; Gallei, Markus (2017)
Free-standing and self-crosslinkable hybrid films by core−shell particle design and processing.
In: Nanomaterials, 7 (11)
doi: 10.3390/nano7110390
Article, Bibliographie

Voigt, Stephan (2014)
Refinement of the active site geometry of NiSOD model peptides - a spectroscopic approach.
Technische Universität Darmstadt
Ph.D. Thesis, Bibliographie

Vianna, Sulivan Dias Borges (2012)
The influence of solid surfaces on the structure and dynamics of polymer melts.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Venkov, Tzvetomir V. ; Hess, Christian ; Jentoft, Friederike C. (2007)
Redox Properties of Vanadium Ions in SBA-15-Supported Vanadium Oxide: An FTIR Spectroscopic Study.
In: Langmuir, 23 (4)
doi: 10.1021/la062269n
Article, Bibliographie

Vyalikh, A. ; Emmler, T. ; Grünberg, B. ; Xu, Y. ; Shenderovich, I. ; Findenegg, G. H. ; Limbach, H. H. ; Buntkowsky, G. (2007)
Hydrogen bonding of water confined in controlled-pore glass 10-75 studied by H-1-solid state NMR.
In: Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, 221 (1)
Article, Bibliographie

Vyalikh, A. ; Emmler, T. ; Shenderovich, I. ; Zeng, Y. ; Findenegg, G. H. ; Buntkowsky, G. (2007)
H-2-solid state NMR and DSC study of isobutyric acid in mesoporous silica materials.
In: Physical Chemistry Chemical Physics, 9 (18)
Article, Bibliographie

Vyalikh, A. ; Emmler, T. ; Gedat, E. ; Shenderovich, I. ; Findenegg, G. H. ; Limbach, H. H. ; Buntkowsky, G. (2005)
Evidence of microphase separation in controlled pore glasses.
In: Solid State Nuclear Magnetic Resonance, 28 (2-4)
Article, Bibliographie

Vegt, N. F. A. van der ; Briels, W. J. ; Wessling, M. ; Strathmann, H. (1998)
A nonequilibrium simulation method for calculating tracer diffusion coefficients of small solutes in n-alkane liquids and polymers.
In: J. Chem. Phys., (108)
Article, Bibliographie

W

Weyel, Jakob ; Hess, Christian (2024)
Refining the mechanism of CO₂ and H₂ activation over gold-ceria catalysts by IR modulation excitation spectroscopy.
In: Physical Chemistry Chemical Physics, 26 (8)
doi: 10.1039/D3CP05102A
Article, Bibliographie

Wienands, Laura (2023)
Optimierung der Reaktionsbedingungen für den Einsatz von Fumarat als Kontrastmittel in der MRT-basierten Tumordiagnostik.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00023749
Ph.D. Thesis, Primary publication, Publisher's Version

Wienands, Laura ; Theiß, Franziska ; Eills, James ; Rösler, Lorenz ; Knecht, Stephan ; Buntkowsky, Gerd (2023)
Optimizing the Reaction Conditions for the Formation of Fumarate via Trans-Hydrogenation.
In: Applied Magnetic Resonance, 2021, 53 (3)
doi: 10.26083/tuprints-00024213
Article, Secondary publication, Publisher's Version

Weyel, Jakob (2023)
Setup and application of modulation excitation infrared spectroscopy for mechanistic elucidation of heterogeneously catalyzed reactions.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00024379
Ph.D. Thesis, Primary publication, Publisher's Version

Weyel, Jakob ; Ziemba, Marc ; Hess, Christian (2022)
Elucidating Active CO–Au Species on Au/CeO2(111): A Combined Modulation Excitation DRIFTS and Density Functional Theory Study.
In: Topics in Catalysis, 65
doi: 10.1007/s11244-022-01599-1
Article, Bibliographie

Wu, Zhenghao ; Alberti, Simon A. N. ; Schneider, Jurek ; Müller-Plathe, Florian (2021)
Knotting behaviour of polymer chains in the melt state for soft-core models with and without slip-springs.
In: Journal of Physics: Condensed Matter, 2021, 33 (24)
doi: 10.26083/tuprints-00019339
Article, Secondary publication, Publisher's Version

Wang, Yonggui ; Yadav, Sandeep ; Heinlein, Thorsten ; Konjik, Valentino ; Breitzke, Hergen ; Buntkowsky, Gerd ; Schneider, Jörg J. ; Zhang, Kai (2021)
Ultra-light nanocomposite aerogels of bacterial cellulose and reduced graphene oxide for specific absorption and separation of organic liquids.
In: RSC Advances, 2014, 4 (41)
doi: 10.26083/tuprints-00018897
Article, Secondary publication, Publisher's Version

Weigler, Max ; Brodrecht, Martin ; Breitzke, Hergen ; Dietrich, Felix ; Sattig, Matthias ; Buntkowsky, Gerd ; Vogel, Michael (2021)
²H NMR Studies on Water Dynamics in Functionalized Mesoporous Silica.
In: Zeitschrift für Physikalische Chemie, 2018, 232 (7-8)
doi: 10.26083/tuprints-00019684
Article, Secondary publication, Publisher's Version

Wu, Zhenghao (2021)
Improved Dynamics in Hybrid Particle-Field Molecular-Dynamics Simulations of Polymers.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00019894
Ph.D. Thesis, Primary publication, Publisher's Version

Waidha, Aamir Iqbal ; Ni, Lingmei ; Ali, Jasim ; Lepple, Maren ; Donzelli, Manuel ; Dasgupta, Supratik ; Wollstadt, Stephan ; Alff, Lambert ; Kramm, Ulrike I. ; Clemens, Oliver (2020)
Synthesis of bifunctional BaFe1−xCoxO3−y−δ(OH)y catalysts for the oxygen reduction reaction and oxygen evolution reaction.
In: Journal of Materials Chemistry A, 8 (2)
doi: 10.1039/C9TA10222A
Article, Bibliographie

Wu, Zhenghao ; Kalogirou, Andreas ; Nicola, Antonio de ; Milano, Giuseppe ; Müller‐Plathe, Florian (2020)
Atomistic hybrid particle‐field molecular dynamics combined with slip‐springs: Restoring entangled dynamics to simulations of polymer melts.
In: Journal of Computational Chemistry, 42 (1)
doi: 10.1002/jcc.26428
Article, Bibliographie

Waidha, Aamir Iqbal ; Lepple, Maren ; Wissel, Kerstin ; Benes, Alexander ; Wollstadt, Stephan ; Slater, Peter R. ; Fortes, A. D. ; Clemens, Oliver (2018)
Synthesis, structure and electrical conductivity of a new perovskite type barium cobaltate BaCoO1.80(OH)0.86.
In: Dalton Transactions, 47 (32)
doi: 10.1039/C8DT01326H
Article, Bibliographie

Wissel, Kerstin ; Heldt, Jonas ; Groszewicz, Pedro B. ; Dasgupta, Supratik ; Breitzke, Hergen ; Donzelli, Manuel ; Waidha, Aamir I. ; Fortes, Andrew Dominic ; Rohrer, Jochen ; Slater, Peter R. ; Buntkowsky, Gerd ; Clemens, Oliver (2018)
Topochemical Fluorination of La2NiO4+d: Unprecedented Ordering of Oxide and Fluoride Ions in La2NiO3F2.
In: Inorganic Chemistry, 57 (11)
doi: 10.1021/acs.inorgchem.8b00661
Article, Bibliographie

Waleska, Philipp S. ; Rupp, Severine ; Hess, Christian (2018)
Operando Multi-Wavelength and Time-Resolved Raman Spectroscopy: Structural Dynamics of a Supported Vanadia Catalyst at Work.
In: The Journal of Physical Chemistry C, 122 (6)
doi: 10.1021/acs.jpcc.7b10518
Article, Bibliographie

Wen, Qingbo ; Yu, Zhaoju ; Xu, Yeping ; Lu, Yan ; Fasel, Claudia ; Morita, Koji ; Guillon, Olivier ; Buntkowsky, Gerd ; Ionescu, Emanuel ; Riedel, Ralf (2018)
SiC/HfyTa1−yCxN1−x/C ceramic nanocomposites with HfyTa1−yCxN1−x-carbon core–shell nanostructure and the influence of the carbon-shell thickness on electrical properties.
In: Journal of Materials Chemistry C, 6 (4)
doi: 10.1039/c7tc05023b
Article, Bibliographie

Waleska, Philipp (2018)
Entwicklung und Anwendung der operando UV-Raman-Diagnostik an geträgerten Metalloxid-Katalysatoren.
Technische Universität Darmstadt
Ph.D. Thesis, Primary publication

Waleska, Philipp ; Hess, Christian (2018)
Structural Dynamics of Dispersed Titania During Dehydration and Oxidative Dehydrogenation Studied by In Situ UV Raman Spectroscopy.
In: Catalysis Letters, 148 (8)
doi: 10.1007/s10562-018-2442-0
Article, Bibliographie

Weidler, Natascha ; Schuch, Jona ; Knaus, Florian ; Stenner, Patrick ; Hoch, Sascha ; Maljusch, Artjom ; Schaefer, Rolf ; Kaiser, Bernhard ; Jaegermann, Wolfram (2017)
X-ray Photoelectron Spectroscopic Investigation of of Plasma-Enhanced Chemical Vapor Deposited NiOx, NiOx(OH)y and CoNiOx(OH)y: Influence of the Chemical Composition on the Catalytic Activity for the Oxygen Evolution Reaction.
In: The Journal of Physical Chemistry C, 121 (12)
doi: 10.1021/acs.jpcc.6b12652
Article, Bibliographie

Wombacher, Tobias ; Gassmann, Andrea ; Foro, Sabine ; Seggern, Heinz von ; Schneider, Jörg J. (2016)
Structural Polymorphism and Thin Film Transistor Behavior in the Fullerene Framework Molecule 5,6;11,12-di-o-Phenylenetetracene.
In: Angewandte Chemie International Edition, 55 (20)
doi: 10.1002/anie.201601517
Article, Bibliographie

Waleska, Philipp S. ; Hess, Christian (2016)
Oligomerization of Supported Vanadia: Structural Insight Using Surface-Science Models with Chemical Complexity.
In: The Journal of Physical Chemistry C, 120 (33)
doi: 10.1021/acs.jpcc.6b01672
Article, Bibliographie

Werner, Mayke Karina (2015)
Synthesis and characterization of peptide/porous silica hybrid materials.
Technische Universität Darmstadt
Ph.D. Thesis, Bibliographie

Wen, Qingbo ; Xu, Yeping ; Xu, Binbin ; Fasel, Claudia ; Guillon, Olivier ; Buntkowsky, Gerd ; Yu, Zhaoju ; Riedel, Ralf ; Ionescu, Emanuel (2014)
Single-source-precursor synthesis of dense SiC/HfCxN1−x-based ultrahigh-temperature ceramic nanocomposites.
In: Nanoscale, 6 (22)
doi: 10.1039/C4NR03376K
Article, Bibliographie

Wang, Y. G. ; Yadav, S. ; Heinlein, T. ; Konjik, V. ; Breitzke, H. ; Buntkowsky, G. ; Schneider, J. J. ; Zhang, K. (2014)
Ultra-light nanocomposite aerogels of bacterial cellulose and reduced graphene oxide for specific absorption and separation of organic liquids.
In: Rsc Advances, 4 (41)
Article, Bibliographie

Werner, M. ; Rothermel, N. ; Breitzke, H. ; Gutmann, T. ; Buntkowsky, G. (2014)
Recent Advances in Solid State NMR of Small Molecules in Confinement.
In: Israel Journal of Chemistry, 54 (1-2)
Article, Bibliographie

Walter, Anke ; Herbert, Rita ; Hess, Christian ; Ressler, Thorsten (2010)
Structural characterization of vanadium oxide catalysts supported on nanostructured silica SBA-15 using X-ray absorption spectroscopy.
In: Chemistry Central Journal, 4 (1)
doi: 10.1186/1752-153X-4-3
Article, Bibliographie

Waechtler, M. ; Sellin, M. ; Stark, A. ; Akcakayiran, D. ; Findenegg, G. ; Gruenberg, A. ; Breitzke, H. ; Buntkowsky, G. (2010)
H-2 and F-19 solid-state NMR studies of the ionic liquid C2PyBTA-d(10) confined in mesoporous silica materials.
In: Physical Chemistry Chemical Physics, 12 (37)
Article, Bibliographie

Wächtler, M. ; Schweitzer, A. ; Gutmann, T. ; Breitzke, H. ; Buntkowsky, G. (2009)
Efficient analysis of V-51 solid-state MAS NMR spectra using genetic algorithms.
In: Solid State Nuclear Magnetic Resonance, 35 (1)
Article, Bibliographie

Walaszek, B. ; Xu, Y. P. ; Adamczyk, A. ; Breitzke, H. ; Pelzer, K. ; Limbach, H. H. ; Huang, J. L. ; Li, H. X. ; Buntkowsky, G. (2009)
H-2-solid-state-NMR study of hydrogen adsorbed on catalytically active ruthenium coated mesoporous silica materials.
In: Solid State Nuclear Magnetic Resonance, 35 (3)
Article, Bibliographie

Wang, D. ; Tessonnier, J. -P. ; Willinger, M. ; Hess, Christian ; Su, D. S. ; Schlögl, Robert (2008)
On the structure of VxOy supported on multiwalled carbon nanotubes.
14th European Microscopy Congress (EMC 2008). Aachen (01. - 05.09.2008)
doi: 10.1007/978-3-540-85226-1_159
Conference or Workshop Item, Bibliographie

Walaszek, B. ; Adamczyk, A. ; Pery, T. ; Xu, Y. P. ; Gutmann, T. ; Amadeu, N. D. ; Ulrich, S. ; Breitzke, H. ; Vieth, H. M. ; Sabo-Etienne, S. ; Chaudret, B. ; Limbach, H. H. ; Buntkowsky, G. (2008)
H-2 Solid-State NMR of Ruthenium Complexes.
In: Journal of the American Chemical Society, 130 (51)
Article, Bibliographie

Walter, Anke ; Hess, Christian ; Herbert, Rita ; Ressler, Thorsten (2007)
Structure of Vanadium Oxide Catalysts supported on nanostructured SiO2.
In: Zeitschrift für Anorganische und Allgemeine Chemie, 634 (11)
doi: 10.1002/zaac.200870156
Article, Bibliographie

Walter, A. ; Hess, Christian ; Herbert, R. ; Ressler, T. (2007)
Structure of vanadium oxide catalysts supported on nanostructured SiO2.
Report, Bibliographie

Weiden, Norbert ; Kato, Tatsuhisa ; Dinse, Klaus-Peter (2004)
Hyperfine interactions in La@C82 studied by W-Band electron paramagnetic resonance and electron nuclear double resonance.
In: Journal of Physical Chemistry B, 108
Article, Bibliographie

Wehrmann, F. ; Albrecht, J. ; Gedat, E. ; Kubas, G. J. ; Eckert, J. ; Limbach, H. H. ; Buntkowsky, G. (2002)
Hydrogen deuterium isotope effect on exchange rates in eta(2) bond transition metal dihydrogen complexes revealed by H-2 solid state NMR spectroscopy.
In: Journal of Physical Chemistry A, 106 (12)
Article, Bibliographie

Weiden, Norbert ; Päch, M. ; Dinse, Klaus-Peter (2001)
Pulsed EPR and ENDOR investigation of hydrogen atoms in silsesquioxane cages.
In: Applied magnetic resonance, 21
Article, Bibliographie

Weiden, Norbert ; Goedde, B. ; Käß, H. ; Dinse, Klaus-Peter (2000)
Squeezing of nitrogen atomic orbitals in a chemical trap.
In: Physical review letters, 85 (7)
doi: 10.1103/PhysRevLett.85.1544
Article, Bibliographie

Waiblinger, M. ; Goedde, B. ; Lips, Klaus ; Harneit, Wolfgang ; Jakes, Peter ; Weidinger, Alois ; Dinse, Klaus-Peter (2000)
Magnetic interaction in diluted N@C 60.
Conference or Workshop Item, Bibliographie

Weiden, Norbert ; Käß, H. ; Dinse, Klaus-Peter (1999)
Pulse electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR) investigation of N@C 60 in polycrystalline C 60.
In: Journal of physical chemistry B, 103 (45)
doi: 10.1021/jp9914471
Article, Bibliographie

Wehrmann, F. ; Fong, T. P. ; Morris, R. H. ; Limbach, H. H. ; Buntkowsky, G. (1999)
Coherent D-2 rotational tunneling and incoherent D-2 dynamics in a solid non-classical RuD2 complex studied by H-2 solid state NMR spectroscopy.
In: Physical Chemistry Chemical Physics, 1 (17)
Article, Bibliographie

X

Xu, Yeping ; Watermann, Tobias ; Limbach, Hans-Heinrich ; Gutmann, Torsten ; Sebastiani, Daniel ; Buntkowsky, Gerd (2021)
Water and small organic molecules as probes for geometric confinement in well-ordered mesoporous carbon materials.
In: Physical Chemistry Chemical Physics (PCCP), 2020, 16 (20)
doi: 10.26083/tuprints-00018898
Article, Secondary publication, Publisher's Version

Xie, Fangtong ; Gonzalo-Juan, Isabel ; Breitzke, Hergen ; Fasel, Claudia ; Trapp, Maximilian ; Buntkowsky, Gerd ; Kleebe, Hans-Joachim ; Riedel, Ralf ; Boccaccini, Aldo R. ; Ionescu, Emanuel (2019)
Effect of Ca and B incorporation into silicon oxycarbide on its microstructure and phase composition.
In: Journal of the American Ceramic Society, 102 (12)
doi: 10.1111/jace.16620
Article, Bibliographie

Xu, Y. P. ; Watermann, T. ; Limbach, H. H. ; Gutmann, T. ; Sebastiani, D. ; Buntkowsky, G. (2014)
Water and small organic molecules as probes for geometric confinement in well-ordered mesoporous carbon materials.
In: Physical Chemistry Chemical Physics, 16 (20)
Article, Bibliographie

Xu, Y. P. ; Xu, S. J. ; Emmler, T. ; Roelofs, F. ; Boettcher, C. ; Haag, R. ; Buntkowsky, G. (2008)
A novel green template for the synthesis of mesoporous silica.
In: Chemistry-a European Journal, 14 (11)
Article, Bibliographie

Y

Yang, Yong-Biao ; Hao, Qiang ; Müller-Plathe, Florian ; Böhm, Michael C. (2020)
Monte Carlo Simulations of SO2, H2S, and CO2 Adsorption in Charged Single-Walled Carbon Nanotube Arrays.
In: The Journal of Physical Chemistry C, 124 (10)
doi: 10.1021/acs.jpcc.9b10424
Article, Bibliographie

Yang, Peidong ; Kim, Franklin ; Tao, Andrea R. ; Hess, Christian (2005)
Langmuir-Blodgett nanostructured monolayers.
Norm, patent, standard, Bibliographie

Yurkovskaya, A. V. ; Morozova, O. B. ; Sagdeev, R. Z. ; Dvinskih, S. V. ; Buntkowsky, G. ; Vieth, H. M. (1995)
The Influence of Scavenging on Cidnp Field Dependences in Biradicals during the Photolysis of Large-Ring Cycloalkanones.
In: Chemical Physics, 197 (2)
Article, Bibliographie

Z

Zhuo, Fangping ; Zhou, Xiandong ; Dietrich, Felix ; Soleimany, Mehrzad ; Breckner, Patrick ; Groszewicz, Pedro B. ; Xu, Bai-Xiang ; Buntkowsky, Gerd ; Rödel, Jürgen (2024)
Dislocation density-mediated functionality in single-crystal BaTiO3.
In: Advanced Science
doi: 10.1002/advs.202403550
Article, Bibliographie

Ziemba, Marc ; Weyel, Jakob ; Zeller, Patrick ; Welzenbach, Jan ; Efimenko, Anna ; Hävecker, Michael ; Hess, Christian (2024)
Importance of metal-support interactions for CO2 hydrogenation: an operando near-ambient pressure x-ray photoelectron spectroscopy study on gold-loaded In2O3 and CeO2 catalysts.
In: The Journal of Physical Chemistry Letters, 15
doi: 10.1021/acs.jpclett.4c00653
Article, Bibliographie

Ziemba, Marc ; Hess, Christian (2023)
Unravelling the mechanism of CO2 activation over low-loaded Cu/CeO2(111) catalysts using operando and transient spectroscopies.
In: Catalysis Science & Technology, 13 (10)
doi: 10.1039/d3cy00494e
Article, Bibliographie

Zhang, Mao-Hua ; Ding, Hui ; Egert, Sonja ; Zhao, Changhao ; Villa, Lorenzo ; Fulanovic, Lovro ; Groszewicz, Pedro B. ; Buntkowsky, Gerd ; Kleebe, Hans-Joachim ; Albe, Karsten ; Klein, Andreas ; Koruza, Jurij (2023)
Tailoring high-energy storage NaNbO3-based materials from antiferroelectric to relaxor states.
In: Nature Communications, 14
doi: 10.1038/s41467-023-37060-4
Article, Bibliographie

Zhan, Ying ; Li, Wei ; Jiang, Tianshu ; Fasel, Claudia ; Ricohermoso, Emmanuel ; Bernauer, Jan ; Yu, Zhaoju ; Wu, Zhenghao ; Müller-Plathe, Florian ; Molina-Luna, Leopoldo ; Grottenmüller, Ralf ; Riedel, Ralf (2022)
Boron-modified perhydropolysilazane towards facile synthesis of amorphous SiBN ceramic with excellent thermal stability.
In: Journal of Advanced Ceramics, 11 (7)
doi: 10.1007/s40145-022-0597-z
Article, Bibliographie

Ziemba, Marc ; Weyel, Jakob ; Hess, Christian (2022)
Elucidating the mechanism of the reverse water–gas shift reaction over Au/CeO2 catalysts using operando and transient spectroscopies.
In: Applied Catalysis B: Environmental, 301
doi: 10.1016/j.apcatb.2021.120825
Article, Bibliographie

Zhou, Tianhang (2022)
Combining Simulation and Machine Learning for Materials Optimization: Polymer Compatibilization, Disinfection, and Heat Transfer.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00021131
Ph.D. Thesis, Primary publication, Publisher's Version

Ziemba, Marc ; Radtke, Mariusz ; Schumacher, Leon ; Hess, Christian (2022)
Elucidating CO2 Hydrogenation over In2O3 Nanoparticles using Operando UV‐vis and Impedance Spectroscopies.
In: Angewandte Chemie. International Edition
doi: 10.1002/anie.202209388
Article, Bibliographie

Ziemba, Marc ; Weyel, Jakob ; Hess, Christian (2022)
Approaching C1 Reaction Mechanisms Using Combined Operando and Transient Analysis: A Case Study on Cu/CeO2 Catalysts during the LT-Water-Gas Shift Reaction.
In: ACS Catalysis, 12
doi: 10.1021/acscatal.2c02216
Article, Bibliographie

Ziemba, Marc (2022)
COₓ Katalyse über CeO₂ und In₂O₃ basierten Katalysatoren: Kombination von operando Spektroskopie und DFT.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00022869
Ph.D. Thesis, Primary publication, Publisher's Version

Ziemba, Marc ; Radtke, Mariusz ; Schumacher, Leon ; Hess, Christian (2022)
Aufklärung der CO₂‐Hydrierung über In₂O₃‐Nanopartikeln mittels Operando UV/Vis‐ und Impedanzspektroskopie.
In: Angewandte Chemie, 2022, 134 (39)
doi: 10.26083/tuprints-00022907
Article, Secondary publication, Publisher's Version

Ziemba, Marc ; Radtke, Mariusz ; Schumacher, Leon ; Hess, Christian (2022)
Elucidating CO₂ Hydrogenation over In₂O₃ Nanoparticles using Operando UV/Vis and Impedance Spectroscopies.
In: Angewandte Chemie International Edition, 2022, 61 (39)
doi: 10.26083/tuprints-00022886
Article, Secondary publication, Publisher's Version

Ziemba, Marc ; Schilling, Christian ; Ganduglia-Pirovano, M. Verónica ; Hess, Christian (2021)
Toward an Atomic-Level Understanding of Ceria-Based Catalysts: When Experiment and Theory Go Hand in Hand.
In: Accounts of Chemical Research, 54 (13)
doi: 10.1021/acs.accounts.1c00226
Article, Bibliographie

Ziemba, Marc ; Schumacher, Leon ; Hess, Christian (2021)
Reduction Behavior of Cubic In2O3 Nanoparticles by Combined Multiple In Situ Spectroscopy and DFT.
In: The Journal of Physical Chemistry Letters, 12 (15)
doi: 10.1021/acs.jpclett.1c00892
Article, Bibliographie

Ziemba, Marc ; Ganduglia-Pirovano, Veronica ; Hess, Christian (2021)
Insight into the mechanism of the water-gas shift reaction over Au/CeO2 catalysts using combined operando spectroscopies.
In: Faraday Discussions, 229
doi: 10.1039/C9FD00133F
Article, Bibliographie

Ziemba, Marc ; Stark, Danny ; Hess, Christian (2020)
Combined DFT and operando Spectroscopic Study of the Water-Gas Shift Reaction over Ceria based Catalysts: The Role of the Noble Metal and Ceria Faceting.
In: Chemistry proceedings, 2 (1)
doi: 10.3390/ECCS2020-07531
Article, Bibliographie

Ziemba, Marc ; Ganduglia-Pirovano, M. Verónica ; Hess, Christian (2020)
Elucidating the Oxygen Storage-Release Dynamics in Ceria Nanorods by Combined Multi-Wavelength Raman Spectroscopy and DFT.
In: The Journal of Physical Chemistry Letters, 11
doi: 10.1021/acs.jpclett.0c02607
Article, Bibliographie

Ziemba, Marc ; Hess, Christian (2020)
Influence of gold on the reactivity behaviour of ceria nanorods in CO oxidation: Combining operando spectroscopies and DFT calculations.
In: Catalysis Science & Technology, 10 (11)
doi: 10.1039/D0CY00392A
Article, Bibliographie

Zhang, Meimei ; Müller-Plathe, Florian (2006)
Thermal diffusion studies in realistic molecular liquids and model polymer solutions via reverse nonequilibrium molecular dynamics.
Conference or Workshop Item, Bibliographie

Zhang, M. ; Müller-Plathe, Florian (2006)
The Soret effect in dilute polymer solutions : influence of chain length, chain stiffness and solvent quality.
In: Journal of Chemical Physics, 125
Article, Bibliographie

Zahn, Dirk ; Brickmann, Jürgen (2002)
Molecular dynamics study of water pores in a phospholipid bilayer.
In: Chemical physics letters, 352
Article, Bibliographie

Zahn, Dirk ; Schmidt, Karl Friedemann ; Kast, Stefan Michael ; Brickmann, Jürgen (2002)
Quantum/classical investigation of amide protonation in aqueous solution.
In: Journal of physical chemistry A, 106
Article, Bibliographie

Zahn, Dirk ; Schilling, Bernd ; Kast, Stefan Michael (2002)
Enhancement of the Wolf damped Coulomb potential : static, dynamic, and dielectric properties of liquid water from molecular simulation.
In: Journal of physical chemistry B, 106
Article, Bibliographie

Zachmann, Carl-Dieter ; Kast, Stefan Michael ; Brickmann, J. (1995)
Quantification and visualization of molecular surface flexibility.
In: Journal of molecular graphics. 13 (1995), S. 89-97
Article, Bibliographie

Š

Šić, Edina (2024)
Untersuchungen von Na/Na⁺ Energiespeichersystemen und deren Komponenten mittels in-situ und ex-situ Festkörper-NMR.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00026781
Ph.D. Thesis, Primary publication, Publisher's Version

Šić, Edina ; Schutjajew, Konstantin ; Haagen, Ulrich ; Breitzke, Hergen ; Oschatz, Martin ; Buntkowsky, Gerd ; Gutmann, Torsten (2024)
Electrochemical sodium storage in hard carbon powder electrodes implemented in an improved cell assembly: insights from in‐situ and ex‐situ solid‐state NMR.
In: ChemSusChem : Chemistry, Sustainability, Energy, Materials, 17 (4)
doi: 10.1002/cssc.202301300
Article, Bibliographie

Šić, Edina ; Rohrer, Jochen ; Ricohermoso, Emmanuel III ; Albe, Karsten ; Ionescu, Emmanuel ; Riedel, Ralf ; Breitzke, Hergen ; Gutmann, Torsten ; Buntkowsky, Gerd (2023)
SiCO ceramics as storage materials for alkali metals/ions: insights on structure moieties from solid‐state NMR and DFT calculations.
In: ChemSusChem, 16 (12)
doi: 10.1002/cssc.202202241
Article, Bibliographie

Šić, Edina ; Melzi d'Eril, Marco ; Schutjajew, Konstantin ; Graczyk‐Zajac, Magdalena J. ; Breitzke, Hergen ; Riedel, Ralf ; Oschatz, Martin ; Gutmann, Torsten ; Buntkowsky, Gerd (2023)
SiCN Ceramics as Electrode Materials for Sodium/Sodium Ion Cells – Insights from ²³Na In‐Situ Solid‐State NMR.
In: Batteries & Supercaps, 2022, 5 (7)
doi: 10.26083/tuprints-00024224
Article, Secondary publication, Publisher's Version

Šić, Edina ; Melzi d'Eril, Marco ; Schutjajew, Konstantin ; Graczyk-Zajac, Magdalena J. ; Breitzke, Hergen ; Riedel, Ralf ; Oschatz, Martin ; Gutmann, Torsten ; Buntkowsky, Gerd (2022)
SiCN Ceramics as Electrode Materials for Sodium/Sodium Ion Cells – Insights from Na-23 In‐Situ Solid‐State NMR.
In: Batteries & Supercaps, 5 (7)
doi: 10.1002/batt.202200066
Article, Bibliographie

This list was generated on Sun Jun 23 01:37:32 2024 CEST.