Christoph Bannwarth
Christoph Bannwarth
Stanford University, Postdoctoral Fellow
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Dispersion-corrected mean-field electronic structure methods
S Grimme, A Hansen, JG Brandenburg, C Bannwarth
Chemical reviews 116 (9), 5105-5154, 2016
Consistent structures and interactions by density functional theory with small atomic orbital basis sets
S Grimme, JG Brandenburg, C Bannwarth, A Hansen
The Journal of Chemical Physics 143 (5), 054107, 2015
A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for …
S Grimme, C Bannwarth, P Shushkov
Journal of Chemical Theory and Computation 13 (5), 1989-2009, 2017
Combinations of Ethers and B(C6F5)3 Function as Hydrogenation Catalysts
LJ Hounjet, C Bannwarth, CN Garon, CB Caputo, S Grimme, DW Stephan
Angewandte Chemie International Edition 52 (29), 7492-7495, 2013
GFN2-xTB—An accurate and broadly parametrized self-consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions
C Bannwarth, S Ehlert, S Grimme
Journal of chemical theory and computation 15 (3), 1652-1671, 2019
Extension of the D3 dispersion coefficient model
E Caldeweyher, C Bannwarth, S Grimme
The Journal of Chemical Physics 147 (3), 034112, 2017
A simplified time-dependent density functional theory approach for electronic ultraviolet and circular dichroism spectra of very large molecules
C Bannwarth, S Grimme
Computational and Theoretical Chemistry 1040, 45-53, 2014
B97-3c: A revised low-cost variant of the B97-D density functional method
JG Brandenburg, C Bannwarth, A Hansen, S Grimme
The Journal of Chemical Physics 148 (6), 064104, 2018
Enantiomerically Pure [M6L12] or [M12L24] Polyhedra from Flexible Bis (Pyridine) Ligands
C Gütz, R Hovorka, C Klein, QQ Jiang, C Bannwarth, M Engeser, ...
Angewandte Chemie International Edition 53, 1693-1698, 2014
The thermochemistry of London dispersion‐driven transition metal reactions: Getting the ‘right answer for the right reason’
A Hansen, C Bannwarth, S Grimme, P Petrović, C Werlé, JP Djukic
ChemistryOpen 3 (5), 177-189, 2014
A generally applicable atomic-charge dependent London dispersion correction
E Caldeweyher, S Ehlert, A Hansen, H Neugebauer, S Spicher, ...
The Journal of Chemical Physics 150 (15), 154122, 2019
Enantiotopos‐Selective C H Oxygenation Catalyzed by a Supramolecular Ruthenium Complex
JR Frost, SM Huber, S Breitenlechner, C Bannwarth, T Bach
Angewandte Chemie International Edition 54 (2), 691-695, 2015
Ultra-fast computation of electronic spectra for large systems by tight-binding based simplified Tamm-Dancoff approximation (sTDA-xTB)
S Grimme, C Bannwarth
The Journal of Chemical Physics 145 (5), 054103, 2016
Synthesis of novel pyridyl containing phospholanes and their polynuclear luminescent copper (I) complexes
EI Musina, AV Shamsieva, ID Strelnik, TP Gerasimova, DB Krivolapov, ...
Dalton Transactions 45 (5), 2250-2260, 2016
Fully Automated Quantum‐Chemistry‐Based Computation of Spin–Spin‐Coupled Nuclear Magnetic Resonance Spectra
S Grimme, C Bannwarth, S Dohm, A Hansen, J Pisarek, P Pracht, ...
Angewandte Chemie International Edition 56 (46), 14763-14769, 2017
An Octanuclear Metallosupramolecular Cage Designed To Exhibit Spin‐Crossover Behavior
N Struch, C Bannwarth, TK Ronson, Y Lorenz, B Mienert, N Wagner, ...
Angewandte Chemie International Edition 56 (18), 4930-4935, 2017
Catalytic deracemization of chiral allenes by sensitized excitation with visible light
A Hölzl-Hobmeier, A Bauer, AV Silva, SM Huber, C Bannwarth, T Bach
Nature 564 (7735), 240-243, 2018
From attraction to repulsion: anion–π interactions between bromide and fluorinated phenyl groups
M Giese, M Albrecht, C Bannwarth, G Raabe, A Valkonen, K Rissanen
Chemical Communications 47 (30), 8542-8544, 2011
Effect of Conjugation Pathway in Metal-Free Room-Temperature Dual Singlet–Triplet Emitters for Organic Light-Emitting Diodes
W Ratzke, L Schmitt, H Matsuoka, C Bannwarth, M Retegan, S Bange, ...
The Journal of Physical Chemistry Letters 7 (22), 4802-4808, 2016
A general intermolecular force field based on tight-binding quantum chemical calculations
S Grimme, C Bannwarth, E Caldeweyher, J Pisarek, A Hansen
The Journal of Chemical Physics 147 (16), 161708, 2017
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