Christoph Bannwarth
Christoph Bannwarth
Stanford University, Postdoctoral Fellow
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Zitiert von
Zitiert von
Dispersion-corrected mean-field electronic structure methods
S Grimme, A Hansen, JG Brandenburg, C Bannwarth
Chemical reviews 116 (9), 5105-5154, 2016
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
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
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
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
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
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
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
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
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
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
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
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
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
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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