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Dispersion Corrections · Issue #260 · grimme-lab/xtb · GitHub
Dispersion Corrections · Issue #260 · grimme-lab/xtb · GitHub

A Comprehensive Overview of the DFT-D3 London-Dispersion Correction - ScienceDirect
A Comprehensive Overview of the DFT-D3 London-Dispersion Correction - ScienceDirect

PPT - Density Functional dispersion correction : DFT-D3 PowerPoint Presentation - ID:4096095
PPT - Density Functional dispersion correction : DFT-D3 PowerPoint Presentation - ID:4096095

Dispersion-Corrected Mean-Field Electronic Structure Methods | Chemical Reviews
Dispersion-Corrected Mean-Field Electronic Structure Methods | Chemical Reviews

Dispersion-Corrected DFT Methods for Applications in Nuclear Magnetic Resonance Crystallography | The Journal of Physical Chemistry A
Dispersion-Corrected DFT Methods for Applications in Nuclear Magnetic Resonance Crystallography | The Journal of Physical Chemistry A

2006.06.29 - GRIMME - JCompChem - Semiemprical Long-Range | PDF | Density Functional Theory | Computational Chemistry
2006.06.29 - GRIMME - JCompChem - Semiemprical Long-Range | PDF | Density Functional Theory | Computational Chemistry

Dispersion Correction in Density Functional Theory | Q-Chem
Dispersion Correction in Density Functional Theory | Q-Chem

Effect of the damping function in dispersion corrected density functional theory - Grimme - 2011 - Journal of Computational Chemistry - Wiley Online Library
Effect of the damping function in dispersion corrected density functional theory - Grimme - 2011 - Journal of Computational Chemistry - Wiley Online Library

Density functional theory including dispersion corrections for intermolecular interactions in a large benchmark set of biologically relevant molecules - Physical Chemistry Chemical Physics (RSC Publishing)
Density functional theory including dispersion corrections for intermolecular interactions in a large benchmark set of biologically relevant molecules - Physical Chemistry Chemical Physics (RSC Publishing)

Comparison of MAD values for different functionals without dispersion... | Download Scientific Diagram
Comparison of MAD values for different functionals without dispersion... | Download Scientific Diagram

Tuning dispersion correction in DFT-D2 for metal-molecule interactions: A tailored reparameterization strategy for the adsorption of aromatic systems on Ag(1 1 1) - ScienceDirect
Tuning dispersion correction in DFT-D2 for metal-molecule interactions: A tailored reparameterization strategy for the adsorption of aromatic systems on Ag(1 1 1) - ScienceDirect

Grimme's DFT-D3 Functionals in ADF and BAND - Software for Chemistry & Materials Software for Chemistry & Materials
Grimme's DFT-D3 Functionals in ADF and BAND - Software for Chemistry & Materials Software for Chemistry & Materials

Overview of the 83 dispersion-corrected DFAs tested in this study | Download Table
Overview of the 83 dispersion-corrected DFAs tested in this study | Download Table

Dispersion-Corrected Mean-Field Electronic Structure Methods | Chemical Reviews
Dispersion-Corrected Mean-Field Electronic Structure Methods | Chemical Reviews

Van der Waals dispersion in density functional theory - ppt download
Van der Waals dispersion in density functional theory - ppt download

Density functional theory with London dispersion corrections - Grimme - 2011 - WIREs Computational Molecular Science - Wiley Online Library
Density functional theory with London dispersion corrections - Grimme - 2011 - WIREs Computational Molecular Science - Wiley Online Library

Fixing a Failure of Density Functional Theory - ChemistryViews
Fixing a Failure of Density Functional Theory - ChemistryViews

Density functional theory with London dispersion corrections - Grimme - 2011 - WIREs Computational Molecular Science - Wiley Online Library
Density functional theory with London dispersion corrections - Grimme - 2011 - WIREs Computational Molecular Science - Wiley Online Library

Van der Waals dispersion in density functional theory - ppt download
Van der Waals dispersion in density functional theory - ppt download

Computational Organic Chemistry » Testing for method performance using rotational constants
Computational Organic Chemistry » Testing for method performance using rotational constants

Density functional theory with London dispersion corrections - Grimme - 2011 - WIREs Computational Molecular Science - Wiley Online Library
Density functional theory with London dispersion corrections - Grimme - 2011 - WIREs Computational Molecular Science - Wiley Online Library

Dispersion-Corrected Mean-Field Electronic Structure Methods | Chemical Reviews
Dispersion-Corrected Mean-Field Electronic Structure Methods | Chemical Reviews

Accuracy of intermolecular interaction energies, particularly those of hetero-atom containing molecules obtained by DFT calculations with Grimme's D2, D3 and D3BJ dispersion corrections - Physical Chemistry Chemical Physics (RSC Publishing)
Accuracy of intermolecular interaction energies, particularly those of hetero-atom containing molecules obtained by DFT calculations with Grimme's D2, D3 and D3BJ dispersion corrections - Physical Chemistry Chemical Physics (RSC Publishing)