A simple theoretical approach to bond energies

James R. Larson*, N. D. Epiotis, Sason S. Shaik

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

The linear combination of fragment configurations (LCFC) method is used to study factors which control the relative strengths of bonds. Trends in bond strengths and the relative stability of structural isomers are predicted for a variety of organic molecules. It is argued that complex interactions within large organic molecules can be simplified to the interaction of the two electrons of a single bond. A compilation of experimental data is presented to support the proposed theoretical model.

Original languageEnglish
Pages (from-to)1205-1211
Number of pages7
JournalTetrahedron
Volume37
Issue number6
DOIs
StatePublished - 1981
Externally publishedYes

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