Molecular orbital theory of bond separat
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R. Ditchfield; W.J. Hehre; J.A. Pople; L. Radom
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Article
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1970
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Elsevier Science
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English
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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