Christian Ochsenfeld
Christian Ochsenfeld
Chair of Theoretical Chemistry, University of Munich (LMU)
Verified email at - Homepage
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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
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
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
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), 1-9, 2015
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
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
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
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
A combined experimental and theoretical study on the formation of interstellar C3H isomers
RI Kaiser, C Ochsenfeld, M Head-Gordon, YT Lee, AG Suits
Science 274 (5292), 1508-1511, 1996
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
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), 064107, 2009
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
A reformulation of the coupled perturbed self-consistent field equations entirely within a local atomic orbital density matrix-based scheme
C Ochsenfeld, M Head-Gordon
Chemical physics letters 270 (5-6), 399-405, 1997
Rigorous integral screening for electron correlation methods
DS Lambrecht, B Doser, C Ochsenfeld
The Journal of chemical physics 123 (18), 184102, 2005
Structure and Dynamics of the Host–Guest Complex of a Molecular Tweezer: Coupling Synthesis, Solid‐State NMR, and Quantum‐Chemical Calculations
SP Brown, T Schaller, UP Seelbach, F Koziol, C Ochsenfeld, FG Klärner, ...
Angewandte Chemie International Edition 40 (4), 717-720, 2001
Locality and sparsity of ab initio one-particle density matrices and localized orbitals
PE Maslen, C Ochsenfeld, CA White, MS Lee, M Head-Gordon
The Journal of Physical Chemistry A 102 (12), 2215-2222, 1998
Linear‐Scaling Methods in Quantum Chemistry
C Ochsenfeld, J Kussmann, DS Lambrecht
Reviews in Computational Chemistry, Volume 23, 1-82, 2007
The “azido gauche effect” implications for the conformation of azidoprolines
LS Sonntag, S Schweizer, C Ochsenfeld, H Wennemers
Journal of the American Chemical Society 128 (45), 14697-14703, 2006
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
A coupled-cluster ab initio study of triplet C3H2 and the neutral–neutral reaction to interstellar C3H
C Ochsenfeld, RI Kaiser, YT Lee, AG Suits, M Head-Gordon
The Journal of chemical physics 106 (10), 4141-4151, 1997
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