GitHub - patonlab/pyDFTD3: Python version of Grimme's D3-dispersion correction for Gaussian input/output
![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](https://www.scm.com/wp-content/uploads/PTCDA_Au.png)
Grimme's DFT-D3 Functionals in ADF and BAND - Software for Chemistry & Materials Software for Chemistry & Materials
![Benchmarking London dispersion corrected density functional theory for noncovalent ion-pi interactions | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage Benchmarking London dispersion corrected density functional theory for noncovalent ion-pi interactions | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage](https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/60c758b6567dfe7164ec68cf/largeThumb/benchmarking-london-dispersion-corrected-density-functional-theory-for-noncovalent-ion-pi-interactions.jpg)
Benchmarking London dispersion corrected density functional theory for noncovalent ion-pi interactions | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage
Performance of dispersion-corrected density functional theory for the interactions in ionic liquids - Physical Chemistry Chemical Physics (RSC Publishing)
![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 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](https://onlinelibrary.wiley.com/cms/asset/6c3fb973-10a0-4ab2-8e7d-bdec3a8045f8/qua25358-fig-0002-m.jpg)
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
![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](https://wires.onlinelibrary.wiley.com/cms/asset/05dbfd25-5cb1-40d3-9b9c-bd690c536d94/mgra001.jpg)
Density functional theory with London dispersion corrections - Grimme - 2011 - WIREs Computational Molecular Science - Wiley Online Library
Using dispersion-corrected density functional theory to understand supramolecular binding thermodynamics - Chemical Communications (RSC Publishing)
GitHub - loriab/dftd3: S. Grimme's dispersion correction for DFT, Hartree–Fock, and semi-empirical quantum chemical methods
Dispersion-Corrected DFT Methods for Applications in Nuclear Magnetic Resonance Crystallography | The Journal of Physical Chemistry A
Comparison of the performance of dispersion-corrected density functional theory for weak hydrogen bonds - Physical Chemistry Chemical Physics (RSC Publishing)
![PDF) A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu PDF) A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu](https://www.researchgate.net/profile/Stefan-Grimme/publication/43347348/figure/fig14/AS:286653596880909@1445354951559/Comparison-of-MAD-values-for-different-functionals-without-dispersion-correction-DFT_Q320.jpg)
PDF) A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu
![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](https://ars.els-cdn.com/content/image/1-s2.0-S0009261418300058-fx1.jpg)