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Christian Ochsenfeld
Christian Ochsenfeld
Chair of Theoretical Chemistry, University of Munich (LMU)
Verified email at cup.uni-muenchen.de - Homepage
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Cited by
Year
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
30622015
Advances in methods and algorithms in a modern quantum chemistry program package
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006
29472006
A tunable azine covalent organic framework platform for visible light-induced hydrogen generation
VS Vyas, F Haase, L Stegbauer, G Savasci, F Podjaski, C Ochsenfeld, ...
Nature communications 6 (1), 8508, 2015
10172015
Q‐Chem 2.0: a high‐performance ab initio electronic structure program package
J Kong, CA White, AI Krylov, D Sherrill, RD Adamson, TR Furlani, MS Lee, ...
Journal of Computational Chemistry 21 (16), 1532-1548, 2000
6852000
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
6822021
Linear and sublinear scaling formation of Hartree–Fock-type exchange matrices
C Ochsenfeld, CA White, M Head-Gordon
The Journal of chemical physics 109 (5), 1663-1669, 1998
4151998
H2 Evolution with Covalent Organic Framework Photocatalysts
T Banerjee, K Gottschling, G Savasci, C Ochsenfeld, BV Lotsch
ACS Energy Letters 3 (2), 400-409, 2018
3392018
Exploiting noncovalent interactions in an imine‐based covalent organic framework for quercetin delivery
VS Vyas, M Vishwakarma, I Moudrakovski, F Haase, G Savasci, ...
Advanced materials 28 (39), 8749-8754, 2016
3252016
Single-Site Photocatalytic H2 Evolution from Covalent Organic Frameworks with Molecular Cobaloxime Co-Catalysts
T Banerjee, F Haase, G Savasci, K Gottschling, C Ochsenfeld, BV Lotsch
Journal of the American Chemical Society 139 (45), 16228-16234, 2017
3192017
Sustained Solar H2 Evolution from a Thiazolo[5,4-d]thiazole-Bridged Covalent Organic Framework and Nickel-Thiolate Cluster in Water
BP Biswal, HA Vignolo-González, T Banerjee, L Grunenberg, G Savasci, ...
Journal of the American Chemical Society 141 (28), 11082-11092, 2019
2602019
Topochemical conversion of an imine-into a thiazole-linked covalent organic framework enabling real structure analysis
F Haase, E Troschke, G Savasci, T Banerjee, V Duppel, S Dörfler, ...
Nature communications 9 (1), 2600, 2018
2542018
Tunable Water and CO2 Sorption Properties in Isostructural Azine-Based Covalent Organic Frameworks through Polarity Engineering
L Stegbauer, MW Hahn, A Jentys, G Savasci, C Ochsenfeld, JA Lercher, ...
Chemistry of Materials 27 (23), 7874-7881, 2015
2092015
TURBOMOLE, version 5.6
R Ahlrichs, M Bär, HP Baron, R Bauernschmitt, S Böcker, M Ehrig, ...
Theoretical Chemistry Group, University of Karlsruhe, 2002
2092002
Ionothermal Synthesis of Imide‐Linked Covalent Organic Frameworks
J Maschita, T Banerjee, G Savasci, F Haase, C Ochsenfeld, BV Lotsch
Angewandte Chemie International Edition 59 (36), 15750-15758, 2020
1912020
Structural insights into poly (heptazine imides): a light-storing carbon nitride material for dark photocatalysis
H Schlomberg, J Kröger, G Savasci, MW Terban, S Bette, ...
Chemistry of Materials 31 (18), 7478-7486, 2019
1852019
Tailor‐Made Photoconductive Pyrene‐Based Covalent Organic Frameworks for Visible‐Light Driven Hydrogen Generation
L Stegbauer, S Zech, G Savasci, T Banerjee, F Podjaski, ...
Advanced Energy Materials 8 (24), 1703278, 2018
1842018
Linear-scaling atomic orbital-based second-order Møller–Plesset perturbation theory by rigorous integral screening criteria
B Doser, DS Lambrecht, J Kussmann, C Ochsenfeld
The Journal of chemical physics 130 (6), 2009
1752009
Benchmarking hydrogen and carbon NMR chemical shifts at HF, DFT, and MP2 levels
D Flaig, M Maurer, M Hanni, K Braunger, L Kick, M Thubauville, ...
Journal of Chemical Theory and Computation 10 (2), 572-578, 2014
1742014
Structure assignment in the solid state by the coupling of quantum chemical calculations with NMR experiments: a columnar hexabenzocoronene derivative
C Ochsenfeld, SP Brown, I Schnell, J Gauss, HW Spiess
Journal of the American Chemical Society 123 (11), 2597-2606, 2001
1722001
Ab initio NMR spectra for molecular systems with a thousand and more atoms: A linear‐scaling method
C Ochsenfeld, J Kussmann, F Koziol
Angewandte Chemie 116 (34), 4585-4589, 2004
1692004
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