Semiempirical molecular‐orbital studies on the problem of nonclassical resonance in the homoallylic cation

A. S N Murthy, Shoba Ranganathan

Research output: Contribution to journalArticleResearchpeer-review

Abstract

The quantum‐mechanical methods (EHT and CNDO/2) have been applied to the homoallylic cation. Both methods successfully predict that the ion need not be represented as a nonclassical structure.

LanguageEnglish
Pages1479-1482
Number of pages4
JournalInternational Journal of Quantum Chemistry
Volume18
Issue number6
DOIs
Publication statusPublished - 1980
Externally publishedYes

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Molecular orbitals
Cations
molecular orbitals
Ions
cations
ions

Cite this

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title = "Semiempirical molecular‐orbital studies on the problem of nonclassical resonance in the homoallylic cation",
abstract = "The quantum‐mechanical methods (EHT and CNDO/2) have been applied to the homoallylic cation. Both methods successfully predict that the ion need not be represented as a nonclassical structure.",
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Semiempirical molecular‐orbital studies on the problem of nonclassical resonance in the homoallylic cation. / Murthy, A. S N; Ranganathan, Shoba.

In: International Journal of Quantum Chemistry, Vol. 18, No. 6, 1980, p. 1479-1482.

Research output: Contribution to journalArticleResearchpeer-review

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