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Cited by 373

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The electronic structure of conjugated systems. VI

Chirgwin, B. H., Coulson, Charles Alfred·1950·Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences

Abstract

This part reconsiders the previously neglected non-orthogonality of atomic orbitals. New generalized definitions of fractional bond order and charge distribution are introduced, and it is shown that under certain conditions, which are satisfied by most conjugated hydro-carbons, the overlap factor is completely irrelevant in calculating bond orders and charges. For heteromolecules this is not the case, and substantial changes may sometimes be made by its inclusion. The various polarizability coefficients introduced in earlier papers are always affected, but numerical results suggest that these changes are not very large.

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Metadata

Authors
Chirgwin, B. H., & Coulson, C. A.
Venue
Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
Published
1950-03-22
Volume
201
Issue
1065
Pages
196-209
ISSN
  • 0080-4630 (ISSN-L)
  • 2053-9169
OpenAlex
W2100104156
Cited by
373
References
1
FWCI
4.59
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: The electronic structure of conjugated systems. VI. https://app.cochat.ai/papers/10.1098/rspa.1950.0053
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Chirgwin, B. H., & Coulson, C. A. (1950). The electronic structure of conjugated systems. VI. Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences. https://doi.org/10.1098/rspa.1950.0053

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

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