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. (2022)
Effects of Spiro-Cyclohexane Substitution of Nitroxyl Biradicals on Dynamic Nuclear Polarization.
In: Molecules, 27 (10)
doi: 10.3390/molecules27103252
Artikel, Bibliographie

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
Artikel, Bibliographie

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

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

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

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

Alaghemandi, Mohammad (2010)
Thermal Conductivity and Thermal Rectification in Carbon Nanotubes - Reverse Non-Equilibrium Molecular Dynamics Simulations.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

Algaer, Elena (2010)
Thermal Conductivity of Polymer Materials - Reverse Nonequilibrium Molecular Dynamics Simulations.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

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

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

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

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

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

B

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

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
Artikel, Bibliographie

Bernhardt, Marvin P. (2022)
Development of Iterative Methods for Coarse-Graining Molecular Liquids.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00021375
Dissertation, Erstveröffentlichung, Verlagsversion

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
Dissertation, Erstveröffentlichung, Verlagsversion

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

Buntkowsky, Gerd ; Döller, Sonja ; Haro-Mares, Nadia ; Gutmann, Torsten ; Hoffmann, Markus (2022)
Solid-state NMR studies of non-ionic surfactants confined in mesoporous silica.
In: Zeitschrift für Physikalische Chemie, 236 (6-8)
doi: 10.1515/zpch-2021-3132
Artikel, Bibliographie

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

Bharadwaj, Swaminath ; Nayar, Divya ; Dalgicdir, Cahit ; Vegt, Nico F. A. van der (2020)
A cosolvent surfactant mechanism affects polymer collapse in miscible good solvents.
In: Communications Chemistry, 3 (1)
doi: 10.1038/s42004-020-00405-x
Artikel, Bibliographie

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

Bielejewski, Michal̷ ; Pinto-Salazar, Monica ; Lindner, L̷ukasz ; Pankiewicz, Radosl̷aw ; Buntkowsky, Gerd ; Tritt-Goc, Jadwiga (2020)
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: 10.1021/acs.jpcc.0c04905
Artikel, Bibliographie

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

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

Brodrecht, Martin (2019)
Synthese und Charakterisierung hochgeordneter peptidmodifizierter Silicananoporen als Modellsysteme für biologische Hybridmaterialien.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

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

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

Brodrecht, Martin ; Kumari, Bharti ; Breitzke, Hergen ; Gutmann, Torsten ; Buntkowsky, Gerd (2018)
Chemically Modified Silica Materials as Model Systems for the Characterization of Water-Surface Interactions.
In: Zeitschrift für Physikalische Chemie, 232 (7-8)
doi: 10.1515/zpch-2017-1059
Artikel, Bibliographie

Buchholz, Bernhard ; Ebert, Volker (2018)
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, 11 (1)
doi: 10.5194/amt-11-459-2018
Artikel, Bibliographie

Buntkowsky, Gerd ; Ivanov, Konstantin L. ; Zimmermann, Herbert ; Vieth, Hans-Martin (2017)
Coherent manipulation of non-thermal spin order in optical nuclear polarization experiments.
In: The Journal of Chemical Physics, 146 (11)
doi: 10.1063/1.4976990
Artikel, Bibliographie

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Brickmann, Jürgen ; Exner, T. (1999)
Recognition using fuzzy logic strategies.
Vth International Symposium Chemistry Forum. Warschau (1999)
Konferenzveröffentlichung, Bibliographie

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Brickmann, Jürgen ; Heiden, W. ; Vollhardt, H. ; Zachmann, C.-D. (1995)
New man-machine communication strategies in molecular modelling.
Twenty-Eighth Annual Hawaii International Conference on System Sciences. Wailea, HI, USA (03.01.1995-06.01.1995)
doi: 10.1109/HICSS.1995.375329
Konferenzveröffentlichung, Bibliographie

Brickmann, Jürgen ; Goetze, D. ; Heiden, W. ; Moeckel, G. ; Reiling, S. ; Vollhardt, H. ; Zachmann, C.-D.
Hrsg.: Bowie, Jack E. (1995)
Interactive visualization of molecular scenarios with MOLCAD/SYBYL.
In: Data visualization in molecular science: Tools for insight and innovation
Buchkapitel, Bibliographie

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

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

Brickmann, Jürgen ; Kast, S. M. ; Vollhardt, H. ; Reiling, S. (1995)
Trends in molecular dynamics simulation technique.
NATO Advanced Study Institute on Frontiers of Chemical Dynamics. Kemer, Antalya (05.09.1994-16.09.1994)
Konferenzveröffentlichung, Bibliographie

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

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

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

C

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

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
Artikel, Bibliographie

Chadwick, F. Mark ; Krämer, Tobias ; Gutmann, Torsten ; Rees, Nicholas H. ; Thompson, Amber L. ; Edwards, Alison J. ; Buntkowsky, Gerd ; Macgregor, Stuart A. ; Weller, Andrew S. (2016)
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: 10.1021/jacs.6b07968
Artikel, Bibliographie

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

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

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

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

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

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

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

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

D

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

Döller, Sonja Carina (2024)
Studies on Confined Guest Molecules by ²H and DNP enhanced ¹³C solid-state NMR.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00026581
Dissertation, Erstveröffentlichung, Verlagsversion

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

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

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

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

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

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

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

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

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

Dinse, Klaus-Peter ; Kato, T. (2004)
What is special about endofullerenes?
Konferenzveröffentlichung, Bibliographie

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

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

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

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

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

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

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

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

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

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

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

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

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

E

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

Enders, Matthias (2023)
Parallele Infrarotspektroskopie und Gravimetrie zur Entwicklung eines optischen Füllstandssensors für Metallhydrid-Wasserstofftanks mit NaAlH4.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00023298
Dissertation, Erstveröffentlichung, Verlagsversion

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

Elger, Ann-Kathrin (2021)
Zinndioxid und Cerdioxid als Ethanol-Gassensoren : Synthese, Charakterisierung und operando-Spektroskopie.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00017857
Dissertation, Erstveröffentlichung, Verlagsversion

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. (2021)
Singlet-Contrast Magnetic Resonance Imaging: Unlocking Hyperpolarization with Metabolism.
In: Angewandte Chemie, 133 (12)
doi: 10.1002/ange.202014933
Artikel, Bibliographie

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

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

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

Elger, Ann-Kathrin ; Baranyai, Julian ; Hofmann, Kathrin ; Hess, Christian (2019)
Direct operando spectroscopic observation of oxygen vacancies in working ceria-based gas sensors.
In: ACS Sensors, 4 (6)
doi: 10.1021/acssensors.9b00521
Artikel, Bibliographie

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

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

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)
Artikel, Bibliographie

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

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

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

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

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

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

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

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

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

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

F

Filtschew, Anastasia ; Beato, Pablo ; Rasmussen, Søren B. ; Hess, Christian (2024)
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, 2020, 23 (3)
doi: 10.26083/tuprints-00028233
Artikel, Zweitveröffentlichung, Postprint

Folberth, Angelina (2022)
On the Influence of Trimethylamine-N-oxide (TMAO) and Pressure on Hydrophobic Interactions.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00022562
Dissertation, Erstveröffentlichung, Verlagsversion

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

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

Fuchs, Thomas Michael (2021)
Spindynamik dotierter Zinncluster im Molekularstrahl.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00019373
Dissertation, Erstveröffentlichung, Verlagsversion

Filtschew, Anastasia ; Hess, Christian (2018)
Unravelling the mechanism of NO and NO₂ storage in ceria: The role of defects and Ce-O surface sites.
In: Applied Catalysis B: Environment and Energy, 237
doi: 10.1016/j.apcatb.2018.06.058
Artikel, Bibliographie

Filtschew, Anastasia (2018)
Ceroxid-haltige Materialien als passive NOx-Adsorber: methodische Weiterentwicklungen und in situ-Untersuchungen des NOx-Einspeichermechanismus.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

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
Artikel, Bibliographie

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

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

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

Farah, Karim Frédéric (2011)
Interphase Formation During Curing Simulated by Reactive Molecular Dynamics.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

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)
Artikel, Bibliographie

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

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

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

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

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

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

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

G

Gizatullin, Bulat ; Mattea, Carlos ; Stapf, Siegfried ; Wissel, Till ; Buntkowsky, Gerd (2024)
NMR Relaxation Dispersion of Liquids Adsorbed on Modified Surfaces of SBA-15 Mesoporous Silica.
In: The Journal of Physical Chemistry C, 128 (21)
doi: 10.1021/acs.jpcc.4c00645
Artikel, Bibliographie

Garcia Rondina, Gustavo (2022)
Excess Entropy and Dynamics in Coarse-Grained Models.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00021221
Dissertation, Erstveröffentlichung, Verlagsversion

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
Artikel, Bibliographie

Gleditzsch, Martin (2020)
Dotierung von nanoskaligen Zinn-Clustern: Molekularstrahlexperimente und Dichtefunktionaltheorie.
Technische Universität Darmstadt
doi: 10.25534/tuprints-00012141
Dissertation, Erstveröffentlichung

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

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

Gutmann, Torsten ; Alkhagani, Safaa ; Rothermel, Niels ; Limbach, Hans-Heinrich ; Breitzke, Hergen ; Buntkowsky, Gerd (2017)
³¹P-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts.
In: Zeitschrift für Physikalische Chemie, 231 (3)
doi: 10.1515/zpch-2016-0837
Artikel, Bibliographie

Groszewicz, Pedro B. ; Gröting, Melanie ; Breitzke, Hergen ; Jo, Wook ; Albe, Karsten ; Buntkowsky, Gerd ; Rödel, Jürgen (2016)
Reconciling Local Structure Disorder and the Relaxor State in (Bi1/2Na1/2)TiO3-BaTiO3.
In: Scientific Reports, 6 (1)
doi: 10.1038/srep31739
Artikel, Bibliographie

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

Götz, Daniel Alexander (2016)
Die Entwicklung dielektrischer Eigenschaften in Metall- und Halbleiterclustern.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

Groszewicz, Pedro B. ; Breitzke, Hergen ; Dittmer, Robert ; Sapper, Eva ; Jo, Wook ; Buntkowsky, Gerd ; Rödel, Jürgen (2014)
Nanoscale phase quantification in lead-free (Bi1/2Na1/2)TiO3-BaTiO3 relaxor ferroelectrics by means of 23Na NMR.
In: Physical Review B, 90 (22)
doi: 10.1103/PhysRevB.90.220104
Artikel, Bibliographie

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

Ganguly, Pritam (2014)
Modeling and Understanding Aqueous Mixtures Using Kirkwood-Buff Theory of Solutions.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

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

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

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

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

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

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

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

Guenther, Gerrit (2012)
Size-dependent High-Temperature Behavior of Bismuth Oxide Nanoparticles.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

Ghanbari, Azadeh (2012)
Coarse-Grained Molecular Dynamics Simulation of Silica-Polystyrene Nanocomposite.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

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)
Artikel, Bibliographie

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Gippius, Andrei Andreevich ; Morozova, E. N. ; Antipov, Evgeny V. ; Abakumov, A. M. ; Rozova, M. G. ; Lüders, Klaus ; Hoffmann, W. ; Buntkowsky, Gerd ; Klein, Oliver (2000)
Magnetic flux dynamics and structural features in fluorinated HgBa₂CuO₄ as probed by ¹⁹F NMR.
In: Physical Review B, 61 (21)
doi: 10.1103/PhysRevB.61.14370
Artikel, Bibliographie

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

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

Gippius, Andrei Andreevich ; Antipov, Evgeny V. ; Hoffmann, W. ; Lüders, Klaus ; Buntkowsky, Gerd (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
Artikel, Bibliographie

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

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

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

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

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

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

H

Höfler, Mark Valentin (2024)
Entwicklung und Anwendung von DNP verstärkter Festkörper NMR zur Untersuchung der Oberflächenfunktionalisierung biopolymerhaltiger Materialien.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00028172
Dissertation, Erstveröffentlichung, Verlagsversion

Hoyer, Henrik ; Hess, Christian (2024)
Identifying active oxygen and copper species in Cu/CeO2 catalysts using Raman and UV–Vis modulation excitation spectroscopy.
In: The Journal of Physical Chemistry C
doi: 10.1021/acs.jpcc.4c05826
Artikel, Bibliographie

Haro Mares, Nadia Berenice (2024)
Study of Ethylene Glycol Dynamics Confined in Decorated SBA-15 and Novel Radicals.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00027474
Dissertation, Erstveröffentlichung, Verlagsversion

Hutsch, Stefanie ; Leonard, Allison ; Grätz, Sven ; Höfler, Mark Valentin ; Gutmann, Torsten ; Borchardt, Lars (2024)
Mechanochemical cyclotrimerization: a versatile tool to covalent organic frameworks with tunable stacking mode.
In: Angewandte Chemie International Edition, 63 (30)
doi: 10.1002/anie.202403649
Artikel, Bibliographie

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

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

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

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
Artikel, Bibliographie

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

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
Artikel, Bibliographie

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

Hess, Christian (2021)
New advances in using Raman spectroscopy for the characterization of catalysts and catalytic reactions.
In: Chemical Society Reviews, 50 (5)
doi: 10.1039/d0cs01059f
Artikel, Bibliographie

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

Herr, Kevin Sebastian (2021)
Entwicklung und Charakterisierung neuartiger Markierungen für Biomoleküle mit Anwendungen in NMR-Hyperpolarisationstechniken.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00019701
Dissertation, Erstveröffentlichung, Verlagsversion

Herr, Kevin ; Fleckenstein, Max ; Brodrecht, Martin ; Höfler, Mark V. ; Heise, Henrike ; Aussenac, Fabien ; Gutmann, Torsten ; Reggelin, Michael ; Buntkowsky, Gerd (2021)
A novel strategy for site selective spin-labeling to investigate bioactive entities by DNP and EPR spectroscopy.
In: Scientific Reports, 11 (1)
doi: 10.1038/s41598-021-92975-6
Artikel, Bibliographie

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

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
Artikel, Bibliographie

Hadjiali, Sara ; Bergmann, Marvin ; Kiryutin, Alexey ; Knecht, Stephan ; Sauer, Grit ; Plaumann, Markus ; Limbach, Hans-Heinrich ; Plenio, Herbert ; Buntkowsky, Gerd (2019)
The application of novel Ir-NHC polarization transfer complexes by SABRE.
In: The Journal of Chemical Physics, 151 (24)
doi: 10.1063/1.5128091
Artikel, Bibliographie

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

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

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

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

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

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

Hörtz, Peter (2015)
Temperaturabhängige Adsorptionskalorimetrie zur Analyse mikroskopischer Vorgänge auf einkristallinen Metalloberflächen.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

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

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

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

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

Heiles, Sven (2012)
Strukturdiskriminierung kleiner anorganischer Cluster durch evolutionäre Algorithmen in Kombination mit elektrischen Ablenkmessungen.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

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)
Artikel, Bibliographie

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Haase, Wolfgang ; Ganzke, D. ; Pozhidaev, E. P. (1999)
Ferroelectric liquid crystals for non-display applications.
In: Liquid Crystals Materials and Devices
Buchkapitel, Bibliographie

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

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

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

Haase, Wolfgang ; Soto Bustamante, Eduardo A. ; Großmann, S. ; Werner, Rüdiger ; Galyametdinov, Yu. G. (1996)
Recent results on liquid crystalline metallopolymers.
In: Polymer preprints, 37
Artikel, Bibliographie

Haase, Wolfgang ; Griesar, Klaus ; Soto Bustamante, Eduardo A. ; Galyametdinov, Yu. G.
Hrsg.: Pittman, Charles U. ; American Chemical Society (1996)
Magnetic investigations on Cu(II)- and Fe(III)-containing liquid crystalline metallopolymers.
International Symposium on Metal-containing Polymeric Materials. Washington, D.C. (21.08.1994-25.08.1994)
Konferenzveröffentlichung, Bibliographie

Haase, Wolfgang ; Griesar, Klaus ; Soto Bustamante, Eduardo A. ; Galyametdinov, Yu. G. (1995)
Magnetic investigations on liquid crystalline metallopolymers.
In: Molecular Crystals and Liquid Crystals. Section A, 274 (1)
doi: 10.1080/10587259508031870
Artikel, Bibliographie

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

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

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

Ip, B. C. K. ; Andreeva, D. V. ; Buntkowsky, G. ; Akcakayiran, D. ; Findenegg, G. H. ; Shenderovich, I. G. (2010)
NMR study of proton transfer to strong bases on inner surfaces of MCM-41.
In: Microporous and Mesoporous Materials, 134 (1-3)
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Jäger, Marc (2021)
Optoelektronische Eigenschaften molekularer Halbleitersysteme.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00017548
Dissertation, Erstveröffentlichung, Verlagsversion

Jäger, Marc ; Schäfer, Rolf (2021)
From Cd‐rich to Se‐rich – the manipulation of CdSe nanocluster structure and optical absorption.
In: ChemPhysChem, 22 (2)
doi: 10.1002/cphc.202000894
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Jäger, Marc ; Schäfer, Rolf (2021)
Variation of the optical properties with size and composition of small, isolated CdxSey+ clusters.
In: Journal of Computational Chemistry, 42 (5)
doi: 10.1002/jcc.26456
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Jäger, Marc ; Schäfer, Rolf ; Johnston, Roy L. (2018)
First principles global optimization of metal clusters and nanoalloys.
In: Advances in Physics: X: APX, 3 (1)
doi: 10.1080/23746149.2018.1516514
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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)
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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
Artikel, Bibliographie

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

Jakes, Peter ; Weiden, Norbert ; Eichel, Rüdiger-A. ; Gembus, Armin ; Dinse, Klaus-Peter ; Meyer, Carola ; Harneit, Wolfgang ; Weidinger, Alois (2002)
Electron paramagnetic resonance investigation of endohedral fullerences N@C 60 and N@C 70 in a liquid crystal.
In: Journal of magnetic resonance, 156
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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
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Jakes, Peter ; Dinse, Klaus-Peter (2001)
EPR study of Sc 3N@C 80 radical anions.
Konferenzveröffentlichung, Bibliographie

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

Jimenez, J. A. ; Claramunt, R. M. ; Mo, O. ; Yanez, M. ; Wehrmann, F. ; Buntkowsky, G. ; Limbach, H. H. ; Goddard, R. ; Elguero, J. (1999)
The structure of N-aminopyrazole in the solid state and in solution: an experimental and computational study.
In: Physical Chemistry Chemical Physics, 1 (22)
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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: 10.1002/adsu.202200477
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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 (2021)
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, 118 (13)
doi: 10.1073/pnas.2025383118
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Kumari, Bharti (2020)
Surface Studies of Porous Materials Using Solid-state NMR and DNP-SENS.
Technische Universität Darmstadt
doi: 10.25534/tuprints-00011470
Dissertation, Erstveröffentlichung

Kozinenko, Vitaly P. ; Kiryutin, Alexey S. ; Knecht, Stephan ; Buntkowsky, Gerd ; Vieth, Hans-Martin ; Yurkovskaya, Alexandra V. ; Ivanov, Konstantin L. (2020)
Spin dynamics in experiments on orthodeuterium induced polarization (ODIP).
In: The Journal of Chemical Physics, 153 (11)
doi: 10.1063/5.0022042
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Knecht, Stephan ; Barskiy, Danila A. ; Buntkowsky, Gerd ; Ivanov, Konstantin L. (2020)
Theoretical description of hyperpolarization formation in the SABRE-relay method.
In: The Journal of Chemical Physics, 153 (16)
doi: 10.1063/5.0023308
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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
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Kaufmann, Desirée (2019)
Virtual insights on G protein inhibition and ion channel block – a computer-based study.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

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
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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
Artikel, Bibliographie

Kumari, Bharti ; John, Daniel ; Hoffmann, Paul ; Spende, Anne ; Toimil-Molares, Maria Eugenia ; Trautmann, Christina ; Hess, Christian ; Ruff, Philip ; Schulze, Marcus ; Stark, Robert ; Buntkowsky, Gerd ; Andrieu-Brunsen, Annette ; Gutmann, Torsten (2018)
Surface enhanced DNP assisted solid-state NMR of functionalized SiO2 coated polycarbonate membranes.
In: Zeitschrift für Physikalische Chemie, 232 (7-8)
doi: 10.1515/zpch-2017-1032
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Kaeswurm, B. ; Friemert, K. ; Gürsoy, M. ; Skokov, K. P. ; Gutfleisch, O. (2016)
Direct measurement of the magnetocaloric effect in cementite.
In: Journal of Magnetism and Magnetic Materials, 410
doi: 10.1016/j.jmmm.2016.02.080
Artikel, Bibliographie

Klett, Joachim ; Elger, Benjamin ; Krähling, Stephan ; Kaiser, Bernhard ; Jaegermann, Wolfram ; Schäfer, Rolf (2016)
Water dissociation on silica in the presence of atomic platinum.
In: Applied Surface Science, 375
doi: 10.1016/j.apsusc.2016.03.041
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Krähling, Stephan (2016)
Aufbau einer Apparatur zur Herstellung massenselektierter Nanopartikel: Inbetriebnahme und erste Anwendungen.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

Klett, Joachim (2016)
Interface and catalyst investigation for solar water splitting.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

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

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

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

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

Kayhan, Mehmet (2013)
Transition Metal Borides: Synthesis, Characterization and Superconducting Properties.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

Kayhan, Emine (2013)
Graphene: Synthesis, Characterization, Properties and Functional Behavior as Catalyst Support and Gas Sensor.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

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

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

Kast, Stefan Michael ; Hauptmann, Wulf ; Schilling, Bernd (2006)
Design of reduced molecular models by integral equation theory.
In: Chemical Physics Letters, 418 (1-3)
doi: 10.1016/j.cplett.2005.10.125
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Knapp, C. ; Weiden, N. ; Dinse, Klaus-Peter (2005)
Comparative EPR study of Cu@C60 and N@C60 endofullerenes,.
In: Magnetic Resonance in Chemistry, 43
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Kast, Stefan Michael (2003)
Free energies from integral equation theories : enforcing path independence.
In: Physica review E, 67
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Kast, Stefan Michael ; Schmidt, Karl Friedemann ; Schilling, Bernd (2003)
Integral equation theory for correcting truncation errors in molecular simulations.
In: Chemical Physics Letters, 367
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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
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Keil, Matthias ; Borosch, Thorsten ; Exner, Thomas E. ; Brickmann, Jürgen (2003)
Computer visualization of molecular models : tools for man-machine communication in molecular science.
In: Handbook of Chemoinformatics : from data to knowledge in 4 volumes; Teil 1
Buchkapitel, Bibliographie

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

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

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

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

Kundu, S. ; Okabe, E. ; Chaudhuri, B. K. ; Haase, W. (2001)
Observation and successive phase transitions in ferroelectric liquid crystal (CS-1013) from dielectric measurements and a pseudospin type model for studying ferro and antiferroelectric behaviour.
In: Indian journal of physics and proceedings of the Indian Association for the Cultivation of Science / A, 75A (2)
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Knapp, Claus ; Weiden, N. ; Käß, H. ; Dinse, Klaus-Peter (1999)
Atoms in fullerene traps as probes for local fields.
Konferenzveröffentlichung, Bibliographie

Kraus, M. ; Klein, K. ; Buntkowsky, G. ; Lüders, K. (1999)
New aspects in the interpretation of the T ' and T Rb-87 NMR lines in Rb3C60.
In: Physica B, 271 (1-4)
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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
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Kast, Stefan Michael ; Berry, R. S. ; Brickmann, J.
Hrsg.: Calais, Jean-Louis (1997)
The interplay between quantum chemistry and molecular dynamics simulations.
In: Conceptual perspectives in quantum chemistry
Buchkapitel, Bibliographie

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

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

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

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

L

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
Dissertation, Erstveröffentlichung, Verlagsversion

Li, Zhenzhong (2021)
Design and Characterization of Heterogeneous Dirhodium Catalysts – Application in Asymmetric Cyclopropanation Reaction.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00019922
Dissertation, Erstveröffentlichung, Verlagsversion

Liu, Peiwen ; Liu, Huan ; Schäfer, Timmy ; Gutmann, Torsten ; Gibhardt, Holger ; Qi, Houjuan ; Tian, Lin ; Zhang, Xizhou Cecily ; Buntkowsky, Gerd ; Zhang, Kai (2021)
Unexpected selective alkaline periodate oxidation of chitin for the isolation of chitin nanocrystals.
In: Green Chemistry, 23 (2)
doi: 10.1039/D0GC04054A
Artikel, Bibliographie

Lenhardt, Katharina R. ; Breitzke, Hergen ; Buntkowsky, Gerd ; Reimhult, Erik ; Willinger, Max ; Rennert, Thilo (2021)
Synthesis of short-range ordered aluminosilicates at ambient conditions.
In: Scientific Reports, 11 (1)
doi: 10.1038/s41598-021-83643-w
Artikel, Bibliographie

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
Artikel, Bibliographie

Liang, Jun ; Nuhnen, Alexander ; Millan, Simon ; Breitzke, Hergen ; Gvilava, Vasily ; Buntkowsky, Gerd ; Janiak, Christoph (2020)
Encapsulation of a Porous Organic Cage into the Pores of a Metal–Organic Framework for Enhanced CO₂ Separation.
In: Angewandte Chemie, 132 (15)
doi: 10.1002/ange.201916002
Artikel, Bibliographie

Li, Zhenzhong ; Rösler, Lorenz ; Herr, Kevin ; Brodrecht, Martin ; Breitzke, Hergen ; Hofmann, Kathrin ; Limbach, Hans‐Heinrich ; Gutmann, Torsten ; Buntkowsky, Gerd (2020)
Dirhodium Coordination Polymers for Asymmetric Cyclopropanation of Diazooxindoles with Olefins: Synthesis and Spectroscopic Analysis.
In: ChemPlusChem, 85 (8)
doi: 10.1002/cplu.202000421
Artikel, Bibliographie

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

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

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

Lohrenscheit, Marno ; Hess, Christian (2016)
Direct evidence for the participation of oxygen vacancies in the oxidation of carbon monoxide over ceria-supported gold catalysts by using operando Raman spectroscopy.
In: ChemCatChem, 8 (3)
doi: 10.1002/cctc.201501129
Artikel, Bibliographie

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

Langeloth, Michael (2015)
Artificial Entanglements in Polymer Chains.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

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)
Artikel, Bibliographie

Laubach, Stefan (2009)
Experimentelle und theoretische Untersuchungen zur Elektronenstruktur der Interkalationsverbindungen NaV2O5, LiCoO2 und LiCoxNi1-xO2.
Technische Universität Darmstadt
Dissertation, Erstveröffentlichung

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)
Artikel, Bibliographie

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

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

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

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

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

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

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

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

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

M

Meinel, Melissa K. (2024)
Change of Roughness and Mobility upon Coarse-Graining Molecular-Dynamics Models.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00027785
Dissertation, Erstveröffentlichung, Verlagsversion

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

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

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

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

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

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

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

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

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)
Artikel, Bibliographie

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

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

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

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

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

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

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

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

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

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

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

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

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