Generating reaction coordinates by the Pauling relation

Noam Agmon*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

32 Scopus citations

Abstract

The Pauling relation of bond order and bond length together with the BEBO postulate are utilized to generation reaction coordinates on potential energy surfaces of simple exchange reactions. A generalization of the Pauling relation where the constant is dependent on the equilibrium separation is proposed.

Original languageEnglish
Pages (from-to)343-345
Number of pages3
JournalChemical Physics Letters
Volume45
Issue number2
DOIs
StatePublished - 15 Jan 1977

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