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](https://www.researchgate.net/publication/43347348/figure/fig14/AS:286653596880909@1445354951559/Comparison-of-MAD-values-for-different-functionals-without-dispersion-correction-DFT.png)
Comparison of MAD values for different functionals without dispersion... | Download Scientific Diagram
![PDF] Semiempirical GGA-type density functional constructed with a long-range dispersion correction by Stefan Grimme · 10.1002/jcc.20495 · OA.mg PDF] Semiempirical GGA-type density functional constructed with a long-range dispersion correction by Stefan Grimme · 10.1002/jcc.20495 · OA.mg](https://og.oa.mg/Semiempirical%20GGA-type%20density%20functional%20constructed%20with%20a%20long-range%20dispersion%20correction.png?author=%20Stefan%20Grimme)
PDF] Semiempirical GGA-type density functional constructed with a long-range dispersion correction by Stefan Grimme · 10.1002/jcc.20495 · OA.mg
![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)
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
![Dispersion-Corrected Density Functional Theory for Aromatic Interactions in Complex Systems | Accounts of Chemical Research Dispersion-Corrected Density Functional Theory for Aromatic Interactions in Complex Systems | Accounts of Chemical Research](https://pubs.acs.org/cms/10.1021/ar3000844/asset/images/large/ar-2012-000844_0006.jpeg)
Dispersion-Corrected Density Functional Theory for Aromatic Interactions in Complex Systems | Accounts of Chemical Research
2006.06.29 - GRIMME - JCompChem - Semiemprical Long-Range | PDF | Density Functional Theory | Computational Chemistry
Dispersion-Corrected DFT Methods for Applications in Nuclear Magnetic Resonance Crystallography | The Journal of Physical Chemistry A
Performance of dispersion-corrected density functional theory for the interactions in ionic liquids - Physical Chemistry Chemical Physics (RSC Publishing)
![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/8de7a1f5-772f-402a-b8ed-4e5a1e51432e/mfig005.jpg)
Density functional theory with London dispersion corrections - Grimme - 2011 - WIREs Computational Molecular Science - Wiley Online Library
![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](https://onlinelibrary.wiley.com/cms/asset/84f68efc-1143-4de4-bb22-dd28093f465f/mfig001.gif)
Effect of the damping function in dispersion corrected density functional theory - Grimme - 2011 - 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 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
GitHub - patonlab/pyDFTD3: Python version of Grimme's D3-dispersion correction for Gaussian input/output
![Dispersion-corrected r²SCAN based double-hybrid functionals | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage Dispersion-corrected r²SCAN based double-hybrid functionals | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage](https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/64f5c8883fdae147fa7a0600/largeThumb/dispersion-corrected-r2scan-based-double-hybrid-functionals.jpg)
Dispersion-corrected r²SCAN based double-hybrid functionals | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage
![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
![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
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)
![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)