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Intermolecular interaction energy of CH4 trimer by symmetry-adapted perturbation theory (1995)

Tachikawa, Masanori ; Suzuki, Kazunari ; Iguchi, Kaoru

Springer

Structural chemistry 6 (1995), S. 287-292

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ISSN: 1572-9001

Keywords: CH4 trimer ; symmetry-adapted perturbation theory ; nonadditive three-body effect

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract The interaction energy for the cyclic CH4 trimer is studied in terms of symmetry-adapted perturbation theory. The interaction energy around the van der Waals minimum is dominated by attractive dispersion energy, and the repulsive contribution at the smaller angle region is due to the first-order exchange energy. The total interaction energy is approximated by additive two-body components, because of a mutual cancellation between nonadditive three-body ones.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF02293122

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