Artiklar med krav på offentlig åtkomst - Eike CaldeweyherLäs mer
Inte tillgängliga någonstans: 4
Extension of the D3 dispersion coefficient model
E Caldeweyher, C Bannwarth, S Grimme
The Journal of chemical physics 147 (3), 2017
Krav: German Research Foundation
London dispersion enables the shortest intermolecular hydrocarbon H··· H contact
S Rösel, H Quanz, C Logemann, J Becker, E Mossou, ...
Journal of the American Chemical Society 139 (22), 7428-7431, 2017
Krav: German Research Foundation
Understanding and quantifying London dispersion effects in organometallic complexes
M Bursch, E Caldeweyher, A Hansen, H Neugebauer, S Ehlert, S Grimme
Accounts of Chemical Research 52 (1), 258-266, 2018
Krav: German Research Foundation
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), 2017
Krav: German Research Foundation
Tillgängliga någonstans: 7
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
Krav: German Research Foundation
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), 2019
Krav: German Research Foundation
Extension and evaluation of the D4 London-dispersion model for periodic systems
E Caldeweyher, JM Mewes, S Ehlert, S Grimme
Physical Chemistry Chemical Physics 22 (16), 8499-8512, 2020
Krav: German Research Foundation
A robust non-self-consistent tight-binding quantum chemistry method for large molecules
P Pracht, E Caldeweyher, S Ehlert, S Grimme
Krav: German Research Foundation
Simplified DFT methods for consistent structures and energies of large systems
E Caldeweyher, JG Brandenburg
Journal of Physics: Condensed Matter 30 (21), 213001, 2018
Krav: German Research Foundation
Benchmarking London dispersion corrected density functional theory for noncovalent ion–π interactions
S Spicher, E Caldeweyher, A Hansen, S Grimme
Physical Chemistry Chemical Physics 23 (20), 11635-11648, 2021
Krav: German Research Foundation
Hybrid machine learning approach to predict the site selectivity of iridium-catalyzed arene borylation
E Caldeweyher, M Elkin, G Gheibi, M Johansson, C Sköld, PO Norrby, ...
Journal of the American Chemical Society 145 (31), 17367-17376, 2023
Krav: US National Institutes of Health
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