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• W3087439747 startingPage "22508" @default.
• W3087439747 abstract "The performance of DFT calculations with D3 or D3BJ dispersion correction for molecules including hetero atom are not good compared with hydrocarbon molecules." @default.
• W3087439747 created "2020-09-25" @default.
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• W3087439747 date "2020-01-01" @default.
• W3087439747 modified "2023-10-03" @default.
• W3087439747 title "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" @default.
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• W3087439747 doi "https://doi.org/10.1039/d0cp03679j" @default.
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