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Three-body potential energy terms for methane trimers

✍ Scribed by O. Novaro; S. Castillo; W. Kołos; A. Leś

Publisher
John Wiley and Sons
Year
1981
Tongue
English
Weight
478 KB
Volume
19
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

An SCF LCAO MO calculation on the methane–methane–methane system is presented, in order to analyze the deviation from pairwise additivity of the interaction energy. Three‐body terms are shown to be remarkably similar to those of noble gas trimers both in magnitude and in their dependence on the geometrical arrangements of the three molecules.

📜 SIMILAR VOLUMES

London potential-energy surfaces for sym
London potential-energy surfaces for symmetrical alkali trimers
✍ S. Noor Mohammad 📂 Article 📅 1978 🏛 John Wiley and Sons 🌐 English ⚖ 625 KB

## Abstract Semiempirical valence bond calculations have been performed on the symmetrical alkali trimers in order to obtain their potential‐energy surface, binding energy, and equilibrium geometry. For these calculations original and generalized Rosen–Morse potentials for the ground state and two