Follow
Christoph Bannwarth
Christoph Bannwarth
Institute of Physical Chemistry; RWTH Aachen University
Verified email at rwth-aachen.de - Homepage
Title
Cited by
Cited by
Year
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
20642019
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
13052017
Dispersion-corrected mean-field electronic structure methods
S Grimme, A Hansen, JG Brandenburg, C Bannwarth
Chemical reviews 116 (9), 5105-5154, 2016
12252016
Extended tight‐binding quantum chemistry methods
C Bannwarth, E Caldeweyher, S Ehlert, A Hansen, P Pracht, J Seibert, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (2), e1493, 2021
883*2021
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
8222019
Extension of the D3 dispersion coefficient model
E Caldeweyher, C Bannwarth, S Grimme
The Journal of Chemical Physics 147 (3), 034112, 2017
7512017
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
7332015
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
4872018
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
2482014
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
2222013
TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics
S Seritan, C Bannwarth, BS Fales, EG Hohenstein, CM Isborn, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (2), e1494, 2021
2042021
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
1912018
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
177*2017
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
1412016
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
124*2015
TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units
S Seritan, C Bannwarth, BS Fales, EG Hohenstein, ...
The Journal of Chemical Physics 152 (22), 224110, 2020
1052020
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
95*2014
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
94*2017
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
912014
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
892016
The system can't perform the operation now. Try again later.
Articles 1–20