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Number of items at this level (without sub-levels): 157.

A

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

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

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

B

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

Bałanda, Maria ; Tomkowicz, Zbigniew ; Haase, Wolfgang ; Rams, Michał (2024)
Single-chain magnet features in 1D [MnR₄TPP][TCNE] compounds.
In: Journal of Physics: Conference Series, 2011, 303 (1)
doi: 10.26083/tuprints-00020753
Article, Secondary publication, Publisher's Version

Berka, Sebastian ; Fleischer, Viktoriya ; Hess, Christian (2023)
Shining Light on Indium Oxide Gas Sensors at Work: A Combined Operando Raman/UV-Vis/FT-IR Spectroscopic Study.
In: Proceedings, 2019, 14 (1)
doi: 10.26083/tuprints-00015492
Article, Secondary publication, Publisher's Version

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

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

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

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

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

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

Brini, Emiliano (2012)
Conditional Reversible Work method: a novel approach to obtain pair potentials for coarse-grained simulation of soft matter.
Technische Universität
Ph.D. Thesis, Primary publication

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

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

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

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

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

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

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

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, 2022, 12 (20)
doi: 10.26083/tuprints-00021412
Article, Secondary publication, Publisher's Version

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

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

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

C

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

D

Dias Borges Vianna, Sulivan (2013)
The influence of solid surfaces on the structure and dynamics of polymer melts.
Technische Universität
Ph.D. Thesis, Primary publication

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

E

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

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

Elger, Ann-Kathrin ; Hess, Christian (2023)
Application of Raman Spectroscopy to Working Gas Sensors: From in situ to operando Studies.
In: Sensors, 2019, 19 (23)
doi: 10.26083/tuprints-00015751
Article, Secondary publication, Publisher's Version

Elger, Ann‐Kathrin ; Hess, Christian (2024)
Aufklärung des Mechanismus von SnO₂‐Gassensoren unter Betriebsbedingungen mittels kombinierter operando‐UV‐Vis‐, Raman‐ und IR‐Spektroskopie.
In: Angewandte Chemie, 2019, 131 (42)
doi: 10.26083/tuprints-00017037
Article, Secondary publication, Publisher's Version

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

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

F

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

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

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, 2022, 12
doi: 10.26083/tuprints-00021461
Article, Secondary publication, Publisher's Version

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

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

G

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

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

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

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

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

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

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

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

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

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

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

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

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

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

H

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

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

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

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

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

Herbers, Claudia Rosemarie (2012)
Hierarchical modelling of molecule-surface interactions: Towards the simulation of polymer coating systems.
Technische Universität
Ph.D. Thesis, Primary publication

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

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

Herzog, Nicole ; 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, 2019, 9 (41)
Article, Secondary publication

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

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

J

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

Jäger, Marc ; Schäfer, Rolf (2024)
From Cd‐Rich to Se‐Rich – The Manipulation of CdSe Nanocluster Structure and Optical Absorption.
In: ChemPhysChem, 2021, 22 (2)
doi: 10.26083/tuprints-00017771
Article, Secondary publication, Publisher's Version

Jäger, Marc ; Schäfer, Rolf (2024)
Variation of the optical properties with size and composition of small, isolated CdxSey+ clusters.
In: Journal of Computational Chemistry, 2021, 42 (5)
doi: 10.26083/tuprints-00017821
Article, Secondary publication, Publisher's Version

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

K

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

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

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

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

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

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

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

Kodumudi Venkataraman, Lalitha ; Zhu, Tingting ; Pinto Salazar, Monica ; Hofmann, Kathrin ; Iqbal Waidha, Aamir ; Jaud, J. C. ; Groszewicz, Pedro B. ; Rödel, Jürgen (2024)
Thermal depolarization and electromechanical hardening in Zn²⁺‐doped Na₁/₂Bi₁/₂TiO₃‐BaTiO₃.
In: Journal of the American Ceramic Society, 2021, 104 (5)
doi: 10.26083/tuprints-00017807
Article, Secondary publication, Publisher's Version

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

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

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

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

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

L

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

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

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

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

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

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

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

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

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

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

M

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

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

Materzok, Tobias ; De Boer, Danna ; Gorb, Stanislav ; Müller‐Plathe, Florian (2024)
Gecko Adhesion on Flat and Rough Surfaces: Simulations with a Multi‐Scale Molecular Model.
In: Small : nano micro, 2022, 18 (35)
doi: 10.26083/tuprints-00022909
Article, Secondary publication, Publisher's Version

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

N

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

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

O

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

P

Paul George, Ajay Abisheck ; Heimer, Pascal ; Leipold, Enrico ; Schmitz, Thomas ; Kaufmann, Desiree ; Tietze, Daniel ; Heinemann, Stefan H. ; Imhof, Diana (2024)
Effect of Conformational Diversity on the Bioactivity of µ-Conotoxin PIIIA Disulfide Isomers.
In: Marine Drugs, 2019, 17 (7)
doi: 10.26083/tuprints-00017147
Article, Secondary publication, Publisher's Version

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

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

R

Radtke, Mariusz ; Hess, Christian (2023)
Operando Raman Shift Replaces Current in Electrochemical Analysis of Li-ion Batteries: A Comparative Study.
In: Molecules, 2021, 26 (15)
doi: 10.26083/tuprints-00019600
Article, Secondary publication, Publisher's Version

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

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

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

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

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

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

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

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

S

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Spende, Anne ; Sobel, Nicolas ; Lukas, Manuela ; Zierold, Robert ; Riedl, Jesse C. ; Gura, Leonard ; Schubert, Ina ; Moreno, Josep M. Montero ; Nielsch, Kornelius ; Stühn, Bernd ; Hess, Christian ; Trautmann, Christina ; Toimil-Molares, Maria E. (2024)
TiO₂, SiO₂, and Al₂O₃ coated nanopores and nanotubes produced by ALD in etched ion-track membranes for transport measurements.
In: Nanotechnology, 2015, 26 (33)
doi: 10.26083/tuprints-00020473
Article, Secondary publication, Publisher's Version

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

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

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

T

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

Tietze, Daniel ; Sartorius, Jana ; Koley Seth, Banabithi ; Herr, Kevin ; Heimer, Pascal ; Imhof, Diana ; Mollenhauer, Doreen ; Buntkowsky, Gerd (2017)
New insights into the mechanism of nickel superoxide degradation from studies of model peptides.
In: Scientific Reports, 2017, 7 (1)
Article, Secondary publication, Publisher's Version

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

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

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

U

Ulrich, Nils ; Spende, Anne ; Burr, Loïc ; Sobel, Nicolas ; Schubert, Ina ; Hess, Christian ; Trautmann, Christina ; Toimil-Molares, Maria Eugenia (2023)
Conical Nanotubes Synthesized by Atomic Layer Deposition of Al₂O₃, TiO₂, and SiO₂ in Etched Ion-Track Nanochannels.
In: Nanomaterials, 2021, 11 (8)
doi: 10.26083/tuprints-00019630
Article, Secondary publication, Publisher's Version

V

Vowinkel, Steffen ; Paul, Stephen ; Gutmann, Torsten ; Gallei, Markus (2024)
Free-Standing and Self-Crosslinkable Hybrid Films by Core−Shell Particle Design and Processing.
In: Nanomaterials, 2017, 7 (11)
doi: 10.26083/tuprints-00016372
Article, Secondary publication, Publisher's Version

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

W

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

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

Wei, Qiumei ; Riaz, Adeel ; Zhukov, Sergey ; Hofmann, Kathrin ; Zhu, Mankang ; Hou, Yudong ; Rödel, Jürgen ; Kodumudi Venkataraman, Lalitha (2023)
Quenching‐circumvented ergodicity in relaxor Na₁/₂Bi₁/₂TiO₃‐BaTiO₃‐K₀.₅Na₀.₅NbO₃.
In: Journal of the American Ceramic Society, 2021, 104 (7)
doi: 10.26083/tuprints-00020147
Article, Secondary publication, Publisher's Version

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

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

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

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

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

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

Wu, Zhenghao ; Kalogirou, Andreas ; De Nicola, Antonio ; Milano, Giuseppe ; Müller‐Plathe, Florian (2023)
Atomistic hybrid particle‐field molecular dynamics combined with slip‐springs: Restoring entangled dynamics to simulations of polymer melts.
In: Journal of Computational Chemistry, 2020, 42 (1)
doi: 10.26083/tuprints-00016170
Article, Secondary publication, Publisher's Version

X

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

Z

Zhang, Mao-Hua ; Ding, Hui ; Egert, Sonja ; Zhao, Changhao ; Villa, Lorenzo ; Fulanović, Lovro ; Groszewicz, Pedro B. ; Buntkowsky, Gerd ; Kleebe, Hans-Joachim ; Albe, Karsten ; Klein, Andreas ; Koruza, Jurij (2024)
Tailoring high-energy storage NaNbO₃-based materials from antiferroelectric to relaxor states.
In: Nature Communications, 2023, 14 (1)
doi: 10.26083/tuprints-00026514
Article, Secondary publication, Publisher's Version

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

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

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

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

Š

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

Šić, Edina ; Rohrer, Jochen ; Ricohermoso, Emmanuel III ; Albe, Karsten ; Ionescu, Emmanuel ; Riedel, Ralf ; Breitzke, Hergen ; Gutmann, Torsten ; Buntkowsky, Gerd (2023)
SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid‐State NMR and DFT Calculations.
In: ChemSusChem, 2023, 16 (12)
doi: 10.26083/tuprints-00024310
Article, Secondary publication, Publisher's Version

This list was generated on Tue Feb 27 09:17:22 2024 CET.