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

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

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

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

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

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

Algaer, Elena (2010)
Thermal Conductivity of Polymer Materials - Reverse Nonequilibrium Molecular Dynamics Simulations.
TU 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)
Article

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

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

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

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

B

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

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, 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, 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

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: 10.26083/tuprints-00021412
Article, Secondary publication, Publisher's Version

Bernhardt, Marvin P. (2022)
Development of Iterative Methods for Coarse-Graining Molecular Liquids.
Technische Universität
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

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

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, 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, 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, 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, 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, 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, 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, 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

Brilmayer, Robert ; Hess, Christian ; Andrieu‐Brunsen, Annette (2019)
Functionalized Nanopores: Influence of Chain Architecture on Nanopore Accessibility in Polyelectrolyte Block‐Co‐Oligomer Functionalized Mesopores.
In: Small, 15 (41)
doi: 10.1002/smll.201970220
Article

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

Brodrecht, Martin (2019)
Synthese und Charakterisierung hochgeordneter peptidmodifizierter Silicananoporen als Modellsysteme für biologische Hybridmaterialien.
Technische Universität
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.
8th edition of the Gospel Workshop. Ferrara, Italy (20.-21.06.2019)
doi: 10.3390/proceedings2019014011
Conference or Workshop Item

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

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

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)
Article

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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)
Article

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

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

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

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

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

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

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

Bonn, Mischa ; Hess, Christian ; Miners, James ; Heinz, Tony ; Bakker, Huib ; Cho, Minhaeng (2001)
Novel Surface Vibrational Spectroscopy: Infrared-Infrared-Visible Sum-Frequency Generation.
In: Physical Review Letters, 86 (8)
Article

Bonn, Mischa ; Hess, Christian ; Wolf, Martin (2001)
The dynamics of vibrational excitations on surfaces: CO on Ru(001).
In: The Journal of Chemical Physics, 115 (16)
Article

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

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

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

Bonn, Mischa ; Hess, Christian ; Funk, Stephan ; Miners, James H. ; Persson, Bo N. J. ; Wolf, Martin ; Ertl, Gerhard (2000)
Femtosecond Surface Vibrational Spectroscopy of CO Adsorbed on Ru(001) during Desorption.
In: Physical Review Letters, 84 (20)
Article

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
Article

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

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

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

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

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

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

Brickmann, Jürgen (1997)
Linguistic variables in the molecular recognition problem.
In: Fuzzy logic in chemistry. Hrsg.: D.H. Rouvray. S. 225-247, Edition: San Diego: Acad. Press, 1997
Book Section

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

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

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

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

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

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

Bodurka, J. ; Buntkowsky, G. ; Gutsze, A. ; Limbach, H. H. (1996)
Surface diffusion of water molecules on proteins of rabbit lens by H-1 NMR relaxation measurements.
In: Zeitschrift Fur Naturforschung C-a Journal of Biosciences, 51 (1-2)
Article

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

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

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

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. Hrsg.: J. E. Bowie. S. 83-97, Edition: Reading, Mass.: Addison-Wesley Publ. Comp., 1995
Book Section

Brickmann, Jürgen ; Kast, ; Vollhardt, ; Reiling, (1995)
Trends in molecular dynamics simulation technique.
In: Frontiers of chemical dynamics: Proc. of the NATO Advanced Study Inst., 1995, Antalya. Hrsg.: E. Yurtsever. S. 217-253
Book Section

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

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

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

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

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

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

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, 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

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))
Article

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)
Article

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

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

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

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

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

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

Cho, Minhaeng ; Hess, Christian ; Bonn, Mischa (2002)
Lateral interactions between adsorbed molecules: Investigations of CO on Ru(001) using nonlinear surface vibrational spectroscopies.
In: Physical Review B, 65 (20)
Article

D

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

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)
Article

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

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)
Article

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)
Article

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

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

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

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

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

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)
Article

Denzler, D. ; Frischkorn, C. ; Hess, Christian ; Wolf, M. ; Ertl, Gerhard (2003)
Electronic Excitation and Dynamic Promotion of a Surface Reaction.
In: Physical Review Letters, 91 (22)
Article

Denzler, D. N. ; Hess, Christian ; Funk, S. ; Ertl, Gerhard ; Bonn, M. ; Frischkorn, C. ; Wolf, M.
Surface femtochemistry: Ultrafast reaction dynamics driven by hot electron mediated reaction pathways.
In: Proceedings-Femtochemistry and Femtobiology: Ultrafast Dynamics in Molecular Science
Article

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

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

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

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

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

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

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

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. Hrsg.: G. Ondrejovic, A. Sirota. Bratislava: Slovak Techn. Univ. Press, 1999. S. 229-234
Book Section

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

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

E

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, 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

Elger, Ann-Kathrin (2021)
Zinndioxid und Cerdioxid als Ethanol-Gassensoren : Synthese, Charakterisierung und operando-Spektroskopie.
Technische Universität
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 : Review.
In: Sensors, 19 (23)
doi: 10.3390/s19235075
Article

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
doi: 10.1002/ange.201908871
Article

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
doi: 10.1002/anie.201908871
Article

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

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

Elger, Benjamin (2017)
Größenabhängige katalytische Aktivität geträgerter Metallcluster kombiniert mit elektrostatischen Molekularstrahlsimulationen.
Technische Universität
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

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

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

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

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

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)
Article

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

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

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 / Johann Gasteiger (ed.). - Weinheim : Wiley-VCH .-Teil: 3(2003), S. 1216-1238
Book Section

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

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

F

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: 10.26083/tuprints-00021461
Article, Secondary publication, Publisher's Version

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

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

Fuchs, Thomas Michael (2021)
Spindynamik dotierter Zinncluster im Molekularstrahl.
Technische Universität
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
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

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

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)
Article

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
Article

Farah, Karim Frédéric (2011)
Interphase Formation During Curing Simulated by Reactive Molecular Dynamics.
TU 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

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

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)
Article

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

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

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

Frischkorn, C. ; Wolf, M. ; Denzler, D. N. ; Hess, Christian ; Ertl, Gerhard
Ultrafast dynamics of recombinative desorption of hydrogen from a Ru(001) surface: Evidence for a collective mechanism from isotope effects.
In: Ultrafast Phenomena XIII-Proceedings
Article

Funk, S. ; Bonn, Mischa ; Denzler, D. N. ; Hess, Christian ; Wolf, M. ; Ertl, Gerhard (2000)
Desorption of CO from Ru(001) induced by near-infrared femtosecond laser pulses.
In: Journal of Chemical Physics, 112 (22)
Article

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

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, 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, 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, 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, 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

Gleditzsch, Martin (2020)
Dotierung von nanoskaligen Zinn-Clustern: Molekularstrahlexperimente und Dichtefunktionaltheorie.
Technische Universität
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

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

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

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

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
Article

Ganguly, Pritam (2014)
Modeling and Understanding Aqueous Mixtures Using Kirkwood-Buff Theory of Solutions.
TU 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

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)
Article

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

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

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

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

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

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

Ghanbari, Azadeh (2012)
Coarse-Grained Molecular Dynamics Simulation of Silica-Polystyrene Nanocomposite.
TU 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

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

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

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

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

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)
Article

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Gruß, Andrea ; Böhm, ; Schulte, ; Dinse, Klaus-Peter (1998)
An ab initio Hartree-Fock investigation of endohedral Sc@C82.
In: Zeitschrift für Naturforschung. 53 a (1998), S. 801-805
Article

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. Hrsg.: H. Kuzmany (u.a.) S. 396-399, Edition: New York: American Inst. of Physics, 1998
Book Section

Groß, Ralf ; Plüschau, ; Dinse, Klaus-Peter ; Beckert, (1998)
Photo-induced hydrogen and electron transfer in solution as studied with FT-EPR.
In: Modern applications of EPR/ESR: from biophysics to materials science. Hrsg.: C.Z. Rudowicz.- Singapore [u.a.]: Springer, 1998. S. 240-245, Edition: Singapore (u.a.): Springer, 1998
Book Section

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

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

H

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

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, 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

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

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: 10.26083/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, 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

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

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

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

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, 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
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, Secondary publication

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

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

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
Article

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

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
Article

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)
Article

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

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

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)
Article

Hess, Christian
eds.: Reedijk, J. ; Poeppelmeier, K. (2013)
Ordered mesoporous and microporous materials with heteroatoms.
In: Comprehensive Inorganic Chemistry II
Book Section

Hess, Christian (2013)
In situ Raman spectroscopy of catalysts: Examples from current research.
In: Top. Catal. , (56)
Article

Heiles, Sven (2012)
Strukturdiskriminierung kleiner anorganischer Cluster durch evolutionäre Algorithmen in Kombination mit elektrischen Ablenkmessungen.
TU 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

Hess, Christian
eds.: Hess, Christian ; Schlögl, R. (2011)
Highly dispersed vanadium oxide catalysts.
In: Nanostructured Catalysts: Selective Oxidation
Book Section

Hess, Christian
eds.: Hess, Christian ; Schlögl, R. (2011)
Surface science models with chemical complexity.
In: Nanostructured Catalysts: Selective Oxidation
Book Section

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)
Article

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

Hess, Christian (2009)
Nanostructured Vanadium Oxide Model Catalysts for Selective Oxidation Reactions.
In: ChemPhysChem, 10 (2)
Article

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
Book Section

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

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)
Article

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

Herbert, Rita ; Hess, Christian ; Schlögl, Robert (2007)
Eine neue Synthesemethode zur Stabilisierung der Nanostruktur mesoporöser Materialien am Beispiel eines geträgerten Vanadiumkatalysators.
In: Chemie Ingenieur Technik, 79 (9)
Article

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

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)
Article

Herbert, R. ; Wild, U. ; Hess, Christian ; Schlögl, R. (2006)
Nanostrukturierte Vanadiumoxid-Modell-Katalysatoren auf Basis von mesoporösem SBA-15.
In: Chemie Ingenieur Technik, 78 (9)
Article

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)
Article

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)
Article

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)
Article

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)
Article

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)
Article

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)
Article

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)
Article

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)
Article

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

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)
Article

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)
Article

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

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

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)
Article

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

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

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

Hess, Christian ; Wolf, M. ; Bonn, Mischa (2000)
Direct Observation of Vibrational Energy Delocalization on Surfaces: CO on Ru(001).
In: Physical Review Letters, 85 (20)
Article

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

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

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

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)
Article

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

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

Haase, Wolfgang ; Athanassopoulou, (1998)
Crystal structures of LC mesogens: invited contribution.
In: Liquid crystals I. Hrsg.: M. Mingos. - Berlin, Heidelberg (u.a.): Springer, 1998. S. 139-197
Book Section

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. Hrsg.: A.X. Trautwein. - Weinheim (u.a.): Wiley-VCH, 1997. S. 681-695
Book Section

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

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. Hrsg.: C. U. Pittman. - New York, London: Plenum Publ.Corp., 1996. S. 287-299, Edition: New York, London: Plenum Publ. Corp., 1996
Book Section

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

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

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

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

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

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

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

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
doi: 10.26083/tuprints-00017548
Ph.D. Thesis, Primary publication, Publisher's Version

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

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

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

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

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

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

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

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

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

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, 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, 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

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, 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
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

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

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
Article

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
Article

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
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)
Article

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)
Article

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

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

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

Kayhan, Emine (2013)
Graphene: Synthesis, Characterization, Properties and Functional Behavior as Catalyst Support and Gas Sensor.
TU 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)
Article

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

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

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

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

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

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

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 / Johann Gasteiger (ed.). - Weinheim : Wiley-VCH.- Teil: 1(2003), S. 320-343
Book Section

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

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

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

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

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

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

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

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

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

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. Hrsg.: K.M. Kadish (u.a.) S. 715-730, Edition: Pennington, N.Y.: The Electrochemical Society, 1997
Book Section

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

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

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

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, 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, 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, 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
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

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

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

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

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

Langeloth, Michael (2015)
Artificial Entanglements in Polymer Chains.
TU 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

Laubach, Stefan (2009)
Experimentelle und theoretische Untersuchungen zur Elektronenstruktur der Interkalationsverbindungen NaV2O5, LiCoO2 und LiCoxNi1-xO2.
TU Darmstadt / Chemie
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

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

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

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

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

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

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

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

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

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

M

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, 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, 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

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, 2019 (22)
doi: 10.1021/acs.macromol.9b01367
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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

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

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

Müller, Thomas J. (2010)
Transportphänomene in biologischen Membranen : Simulation von Massen-, Impuls- und Wärmetransport ; Nicht-Gleichgewicht-Simulationen an Zellmembran-Modellsystemen.
TU Darmstadt / Chemie
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

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

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

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)
Article

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)
Article

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

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

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

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

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

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

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

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

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

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