(Q41360559)

English

Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared withab initioquantum mechanics calculations

scientific article published on 30 January 2007

Statements

Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared withab initioquantum mechanics calculations (English)
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Petr Jurečka
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Dennis R. Salahub
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30 January 2007
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28
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2
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555-569
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