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Angewandte Chemie (International Ed. in English)
|
May 1, 2013
Towards first principles calculation of electron impact mass spectra of molecules
Stefan Grimme
The Journal of Chemical Physics
|
July 5, 2013
A simplified Tamm-Dancoff density functional approach for the electronic excitation spectra of very large molecules
Stefan Grimme
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 12, 2012
Supramolecular binding thermodynamics by dispersion-corrected density functional theory
Stefan Grimme
Organic Letters
|
September 25, 2010
n-Alkane isodesmic reaction energy errors in density functional theory are due to electron correlation effects
Stefan Grimme
The Journal of Physical Chemistry. A
|
July 13, 2006
Accurate calculation of the heats of formation for large main group compounds with spin-component scaled MP2 methods
Stefan Grimme
Angewandte Chemie (International Ed. in English)
|
June 2, 2006
Seemingly simple stereoelectronic effects in alkane isomers and the implications for Kohn-Sham density functional theory
Stefan Grimme
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 15, 2004
On the importance of electron correlation effects for the pi-pi interactions in cyclophanes
Stefan Grimme
Journal of Computational Chemistry
|
June 30, 2004
Accurate description of van der Waals complexes by density functional theory including empirical corrections
Stefan Grimme
The Journal of Chemical Physics
|
January 28, 2006
Semiempirical hybrid density functional with perturbative second-order correlation
Stefan Grimme
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 22, 2012
Comment on: "On the accuracy of DFT methods in reproducing ligand substitution energies for transition metal complexes in solution: the role of dispersive interactions" by H. Jacobsen and L. Cavallo
Stefan Grimme
Page
of 56
Search research articles
Search
Showing results (1-10 of 552) with videos related to
Sort By:
Page
of 56
Angewandte Chemie (International Ed. in English)
|
May 1, 2013
Towards first principles calculation of electron impact mass spectra of molecules
Stefan Grimme
The Journal of Chemical Physics
|
July 5, 2013
A simplified Tamm-Dancoff density functional approach for the electronic excitation spectra of very large molecules
Stefan Grimme
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 12, 2012
Supramolecular binding thermodynamics by dispersion-corrected density functional theory
Stefan Grimme
Organic Letters
|
September 25, 2010
n-Alkane isodesmic reaction energy errors in density functional theory are due to electron correlation effects
Stefan Grimme
The Journal of Physical Chemistry. A
|
July 13, 2006
Accurate calculation of the heats of formation for large main group compounds with spin-component scaled MP2 methods
Stefan Grimme
Angewandte Chemie (International Ed. in English)
|
June 2, 2006
Seemingly simple stereoelectronic effects in alkane isomers and the implications for Kohn-Sham density functional theory
Stefan Grimme
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 15, 2004
On the importance of electron correlation effects for the pi-pi interactions in cyclophanes
Stefan Grimme
Journal of Computational Chemistry
|
June 30, 2004
Accurate description of van der Waals complexes by density functional theory including empirical corrections
Stefan Grimme
The Journal of Chemical Physics
|
January 28, 2006
Semiempirical hybrid density functional with perturbative second-order correlation
Stefan Grimme
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 22, 2012
Comment on: "On the accuracy of DFT methods in reproducing ligand substitution energies for transition metal complexes in solution: the role of dispersive interactions" by H. Jacobsen and L. Cavallo
Stefan Grimme
Page
of 56