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A simple demonstration model for molecular orbital theory

✍ Scribed by Druding, Leonard F.


Book ID
120742057
Publisher
American Chemical Society
Year
1972
Tongue
English
Weight
489 KB
Volume
49
Category
Article
ISSN
0021-9584

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πŸ“œ SIMILAR VOLUMES


A simple model of solvation within the m
✍ J.Oakey Noell; Keiji Morokuma πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 496 KB

A simple model of salvation within the molecular orbital method is proposed whereby the efiect of solvent molecuies is simulated by the inclusion of fractional point charges at the solvent atomic centers. The method is applied to three salvation problems: the hydr;ltion of Li+ and F-nnd the solvztio