Refrain Grain de raisin Sophistiqué grimme dispersion correction 945 Boutique auteur

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

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

PDF] Semiempirical GGA-type density functional constructed with a long-range dispersion correction by Stefan Grimme · 10.1002/jcc.20495 · OA.mg

PDF) A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu

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

Benchmarking London dispersion corrected density functional theory for noncovalent ion-pi interactions | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage

GitHub - patonlab/pyDFTD3: Python version of Grimme's D3-dispersion correction for Gaussian input/output

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

Performance of dispersion-corrected density functional theory for the interactions in ionic liquids - 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)

Implementation of empirical dispersion corrections to density functional theory for periodic systems - Reckien - 2012 - Journal of Computational Chemistry - Wiley Online Library

Benchmarking density functionals in conjunction with Grimme's dispersion correction for noble gas dimers (Ne2, Ar2, Kr2, Xe2, Rn2) - Kovács - 2017 - International Journal of Quantum Chemistry - Wiley Online Library

Fixing a Failure of Density Functional Theory - ChemistryViews

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

Effects of London dispersion correction in density functional theory on the structures of organic molecules in the gas phase - Physical Chemistry Chemical Physics (RSC Publishing)

Dispersion Correction in Density Functional Theory | Q-Chem

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

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

Van der Waals dispersion in density functional theory - ppt download

Dispersion-Corrected Density Functional Theory for Aromatic Interactions in Complex Systems | Accounts of Chemical Research

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

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