Articles with public access mandates - Stefan GrimmeLearn more
Not available anywhere: 263
Effect of the damping function in dispersion corrected density functional theory
S Grimme, S Ehrlich, L Goerigk
Journal of computational chemistry 32 (7), 1456-1465, 2011
Mandates: German Research Foundation
Supramolecular binding thermodynamics by dispersion‐corrected density functional theory
S Grimme
Chemistry–A European Journal 18 (32), 9955-9964, 2012
Mandates: German Research Foundation
Automated exploration of the low-energy chemical space with fast quantum chemical methods
P Pracht, F Bohle, S Grimme
Physical Chemistry Chemical Physics 22 (14), 7169-7192, 2020
Mandates: German Research Foundation
Do special noncovalent π–π stacking interactions really exist?
S Grimme
Angewandte Chemie International Edition 47 (18), 3430-3434, 2008
Mandates: German Research Foundation
Extension of the D3 dispersion coefficient model
E Caldeweyher, C Bannwarth, S Grimme
The Journal of chemical physics 147 (3), 2017
Mandates: German Research Foundation
Density functional theory with dispersion corrections for supramolecular structures, aggregates, and complexes of (bio) organic molecules
S Grimme, J Antony, T Schwabe, C Mück-Lichtenfeld
Organic & Biomolecular Chemistry 5 (5), 741-758, 2007
Mandates: German Research Foundation
Density functional theory including dispersion corrections for intermolecular interactions in a large benchmark set of biologically relevant molecules
J Antony, S Grimme
Physical Chemistry Chemical Physics 8 (45), 5287-5293, 2006
Mandates: German Research Foundation
Double-hybrid density functional theory for excited electronic states of molecules
S Grimme, F Neese
The Journal of chemical physics 127 (15), 2007
Mandates: German Research Foundation
NHC catalyzed oxidations of aldehydes to esters: chemoselective acylation of alcohols in presence of amines
S De Sarkar, S Grimme, A Studer
Journal of the American Chemical Society 132 (4), 1190-1191, 2010
Mandates: German Research Foundation
Seemingly simple stereoelectronic effects in alkane isomers and the implications for Kohn–Sham density functional theory
S Grimme
Angewandte Chemie International Edition 45 (27), 4460-4464, 2006
Mandates: German Research Foundation
System‐dependent dispersion coefficients for the DFT‐D3 treatment of adsorption processes on ionic surfaces
S Ehrlich, J Moellmann, W Reckien, T Bredow, S Grimme
ChemPhysChem 12 (17), 3414-3420, 2011
Mandates: German Research Foundation
Dispersion-corrected density functional theory for aromatic interactions in complex systems
S Ehrlich, J Moellmann, S Grimme
Accounts of chemical research 46 (4), 916-926, 2013
Mandates: German Research Foundation
Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost
T Schwabe, S Grimme
Accounts of chemical research 41 (4), 569-579, 2008
Mandates: German Research Foundation
Benchmarking density functional methods against the S66 and S66x8 datasets for non‐covalent interactions
L Goerigk, H Kruse, S Grimme
ChemPhysChem 12 (17), 3421-3433, 2011
Mandates: German Research Foundation
A simplified Tamm-Dancoff density functional approach for the electronic excitation spectra of very large molecules
S Grimme
The Journal of chemical physics 138 (24), 2013
Mandates: German Research Foundation
Metal‐free Catalytic Olefin Hydrogenation: Low‐Temperature H2 Activation by Frustrated Lewis Pairs
L Greb, P Oña‐Burgos, B Schirmer, S Grimme, DW Stephan, J Paradies
Angewandte Chemie International Edition 51 (40), 10164-10168, 2012
Mandates: German Research Foundation
Noncovalent interactions between graphene sheets and in multishell (hyper) fullerenes
S Grimme, C Mück-Lichtenfeld, J Antony
The Journal of Physical Chemistry C 111 (30), 11199-11207, 2007
Mandates: German Research Foundation
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
Mandates: German Research Foundation
How to compute isomerization energies of organic molecules with quantum chemical methods
S Grimme, M Steinmetz, M Korth
The Journal of Organic Chemistry 72 (6), 2118-2126, 2007
Mandates: German Research Foundation
A practicable real‐space measure and visualization of static electron‐correlation effects
S Grimme, A Hansen
Angewandte Chemie International Edition 54 (42), 12308-12313, 2015
Mandates: German Research Foundation
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