The bond orders of alternant hydrocarbon molecules-Reference-Cited by-同舟云学术

The bond orders of alternant hydrocarbon molecules

Published:1955-04-21 Issue:1177 Volume:229 Page:251-259
ISSN:0080-4630
Container-title:Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
language:en
Short-container-title:Proc. R. Soc. Lond. A

Author:

Abstract

The equations which determine the molecular orbitals of an alternant hydrocarbon molecule are discussed. It is proved that the bond orders can be calculated algebraically by various methods without solving the eigenvalue equations. In particular, it is possible to express the bond orders as the sum of a converging series of matrices each of whose terms has a simple interpretation. The naphthalene and benzpyrene molecules are used as illustrations of the various methods. These methods are particularly useful when applied to self-consistent field treatments of these molecules.

Publisher

The Royal Society

Subject

Pharmacology (medical)

Link

https://royalsocietypublishing.org/doi/pdf/10.1098/rspa.1955.0085

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