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

A. S N Murthy; Shoba Ranganathan

doi:10.1002/qua.560180612

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

A. S N Murthy^*, Shoba Ranganathan

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

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.

Original language	English
Pages (from-to)	1479-1482
Number of pages	4
Journal	International Journal of Quantum Chemistry
Volume	18
Issue number	6
DOIs	https://doi.org/10.1002/qua.560180612
Publication status	Published - 1980
Externally published	Yes

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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.",

author = "Murthy, {A. S N} and Shoba Ranganathan",

year = "1980",

doi = "10.1002/qua.560180612",

language = "English",

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pages = "1479--1482",

journal = "International Journal of Quantum Chemistry",

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AU - Murthy, A. S N

AU - Ranganathan, Shoba

PY - 1980

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N2 - 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.

AB - 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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DO - 10.1002/qua.560180612

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EP - 1482

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

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