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A heuristic intermolecular potential function for formaldehyde-water based on ab initio molecular orbital calculations

✍ Scribed by Swaminathan, S.; Whitehead, R. J.; Guth, Elias; Beveridge, David L.


Book ID
125942767
Publisher
American Chemical Society
Year
1977
Tongue
English
Weight
755 KB
Volume
99
Category
Article
ISSN
0002-7863

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Heuristic intermolecular potential funct
✍ S. W. Harrison; S. Swaminathan; David L. Beveridge; Robert Ditchfield 📂 Article 📅 1978 🏛 John Wiley and Sons 🌐 English ⚖ 446 KB

## Abstract An analytical potential function for the pairwise interaction of methane and water is reported. The function is representative of 225 __ab initio__ quantum‐mechanical calculations of the intermolecular interaction using 6–31G self‐consistent‐field molecular‐orbital theory. The statistic