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Molecular orbital theory of bond separation

✍ Scribed by R. Ditchfield; W.J. Hehre; J.A. Pople; L. Radom

Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
193 KB
Volume
5
Category
Article
ISSN
0009-2614

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✦ Synopsis

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 theory n%th a basis of cantracted Gaussian functions. The results are in good agreement \ith experimental values.

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