Articles with public access mandates - Johannes T MargrafLearn more
Not available anywhere: 10
Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks
L Ascherl, T Sick, JT Margraf, SH Lapidus, M Calik, C Hettstedt, ...
Nature Chemistry 8, 310–316, 2016
Mandates: US Department of Energy, German Research Foundation, European Commission
A Molecular Placeholder Strategy to Access a Family of Transition- Metal-Functionalized Vanadium Oxide Clusters
K Kastner, JT Margraf, T Clark, C Streb
Chemistry - A European Journal 20 (38), 12269-12273, 2014
Mandates: German Research Foundation
Blending through-space and through-bond π–π-Coupling in [2, 2′]-Paracyclophane-oligophenylenevinylene molecular wires
M Wielopolski, A Molina-Ontoria, C Schubert, JT Margraf, E Krokos, ...
Journal of the American Chemical Society 135 (28), 10372-10381, 2013
Mandates: German Research Foundation, Government of Spain
Quantum-dot-sensitized solar cells: understanding linker molecules through theory and experiment
JT Margraf, A Ruland, V Sgobba, DM Guldi, T Clark
Langmuir 29 (7), 2434-2438, 2013
Mandates: German Research Foundation
Subgroup Discovery Points to the Prominent Role of Charge Transfer in Breaking Nitrogen Scaling Relations at Single-Atom Catalysts on VS2
H Li, Y Liu, K Chen, JT Margraf, Y Li, K Reuter
ACS Catalysis 11 (13), 7906-7914, 2021
Mandates: National Natural Science Foundation of China, German Research Foundation …
Automatic generation of reaction energy databases from highly accurate atomization energy benchmark sets
JT Margraf, DS Ranasinghe, RJ Bartlett
Phys. Chem. Chem. Phys. 19, 9798-9805, 2017
Mandates: US Department of Defense
An Accurate Intermolecular Potential for the C60 Dimer: The Performance of Different Levels of Quantum Theory
DI Sharapa, JT Margraf, A Hesselmann, T Clark
J. Chem. Theory Comput. 13 (1), 274–285, 2016
Mandates: German Research Foundation
CO2-activation by size-selected tantalum cluster cations (Ta1-16+): thermalization governing reaction selectivity
N Levin, JT Margraf, J Lengyel, K Reuter, M Tschurl, U Heiz
Physical Chemistry Chemical Physics 24, 2623-2629, 2022
Mandates: German Research Foundation
What is semiempirical molecular orbital theory approximating?
JT Margraf, PO Dral
Journal of Molecular Modeling 25, 119, 2019
Mandates: European Commission
Kohlenstoff‐Nanopunkte: supramolekulare Elektronendonor‐Akzeptor‐Hybride mit Perylendiimiden
V Strauss, JT Margraf, K Dirian, Z Syrgiannis, M Prato, C Wessendorf, ...
Angewandte Chemie 127 (28), 8410-8415, 2015
Mandates: German Research Foundation, Government of Italy
Available somewhere: 48
Carbon Nanodots – Towards a Comprehensive Understanding of their Photoluminescence
V Strauss, JT Margraf, C Dolle, B Butz, TJ Nacken, J Walter, W Bauer, ...
Journal of the American Chemical Society 136 (49), 17308–17316, 2014
Mandates: German Research Foundation
Synchronized offset stacking – a concept for growing large-domain and highly crystalline 2D covalent organic frameworks
F Auras, L Ascherl, A Hakimioun, JT Margraf, F Hanusch, S Reuter, ...
Journal of the American Chemical Society 138 (51), 16703–16710, 2016
Mandates: German Research Foundation, European Commission
Machine learning in chemical reaction space
S Stocker, G Csányi, K Reuter, JT Margraf
Nature Communications 11, 5505, 2020
Mandates: German Research Foundation
Directional Charge Carrier Transport in Oriented Benzodithiophene Covalent Organic Framework Thin Films
D Medina, M Petrus, A Jumabekov, JT Margraf, S Weinberger, J Rotter, ...
ACS Nano 11 (3), 2706–2713, 2017
Mandates: German Research Foundation, European Commission, Federal Ministry of …
Mapping Materials and Molecules
B Cheng, RR Griffiths, S Wengert, C Kunkel, T Stenczel, B Zhu, ...
Accounts of Chemical Research 53 (9), 1981-1991, 2020
Mandates: Swiss National Science Foundation, US Department of Defense, German Research …
Molecular wires – impact of p-conjugation and implementation of molecular bottlenecks
C Schubert, JT Margraf, T Clark, DM Guldi
Chem. Soc. Rev. 44, 988-998, 2015
Mandates: German Research Foundation
Carbon Nanodots for Charge-Transfer Processes
A Cadranel, JT Margraf, V Strauss, T Clark, DM Guldi
Accounts of Chemical Research 52 (4), 955–963, 2019
Mandates: German Research Foundation
Active discovery of organic semiconductors
C Kunkel, JT Margraf, K Chen, H Oberhofer, K Reuter
Nature Communications 12, 2422, 2021
Mandates: German Research Foundation
Carbon Nanodots: Supramolecular Electron Donor–Acceptor Hybrids Featuring Perylenediimides
V Strauss, JT Margraf, K Dirian, Z Syrgiannis, M Prato, C Wessendorf, ...
Angewandte Chemie International Edition 54 (28), 8292-8297, 2015
Mandates: German Research Foundation, Government of Italy
How Robust are Modern Graph Neural Network Potentials in Long and Hot Molecular Dynamics Simulations?
S Stocker, J Gasteiger, F Becker, S Günnemann, JT Margraf
Machine Learning: Science and Technology 3, 045010, 2022
Mandates: German Research Foundation
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