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"Density functional theory augmented with an empirical dispersion term. ..."

Petr Jurecka et al. (2007)

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DOI: 10.1002/JCC.20570

access: closed

type: Journal Article

metadata version: 2020-04-01

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Petr Jurecka, Jirí Cerný, Pavel Hobza, Dennis R. Salahub:
Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations. J. Comput. Chem. 28(2): 555-569 (2007)

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