Compressed intramolecular dispersion interactions
نویسندگان
چکیده
منابع مشابه
Inter- and intramolecular dispersion interactions
We have investigated the performance of a variety of density functional methods for weak intra- and intermolecular dispersion interactions. Grimme's empirical dispersion correction method is shown to give a good description for these interactions and helps to improve the description of water-hexamer isomers, noble-gas dimers, hydrocarbon C(12)H(12) isomers, branching energy of linear versus bra...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2020
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5126716