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Molecular orbital theory of the electronic structure of organic compounds. V. Molecular theory of bond separation

✍ Scribed by Hehre, Warren J.; Ditchfield, R.; Radom, L.; Pople, John A.


Book ID
120377175
Publisher
American Chemical Society
Year
1970
Tongue
English
Weight
685 KB
Volume
92
Category
Article
ISSN
0002-7863

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Molecular orbital theory of bond separat
✍ R. Ditchfield; W.J. Hehre; J.A. Pople; L. Radom πŸ“‚ Article πŸ“… 1970 πŸ› Elsevier Science 🌐 English βš– 193 KB

A bond separation reacfion is defined as the process in \\-hich a polyatomic molecule is separated into the simplest molecules containing the same component bonds. The energies associated with such reac- tions are calculated for a series of polyatomic molecules using ab initio molecular orbital theo