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A procedure to generate ab initio intermolecular potential function

โœ Scribed by Kazuo Kitaura


Book ID
103801294
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
552 KB
Volume
104
Category
Article
ISSN
0378-3812

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๐Ÿ“œ SIMILAR VOLUMES


Heuristic intermolecular potential funct
โœ S. W. Harrison; S. Swaminathan; David L. Beveridge; Robert Ditchfield ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 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__ quantumโ€mechanical calculations of the intermolecular interaction using 6โ€“31G selfโ€consistentโ€field molecularโ€orbital theory. The statistic