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A computer algorithm for the convenient normal-coordinate analysis of molecules with redundant coordinates

✍ Scribed by Curtis Marcott; Steven D. Ferber; Henry A. Havel; Albert Moscowitz; John Overend

Book ID
108007042
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
497 KB
Volume
37
Category
Article
ISSN
1386-1425

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✍ IstvΓ‘n Lukovits πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 326 KB

A simplified version of the Wilson FG normal coordinate analysis is proposed to calculate the intermolecular vibrational frequencies of adsorbed molecules. Intramolecular vibrations are neglected, and it is assumed that one of the interacting molecules is much larger than the other. A special D matr