Minimum energy path equation for A+BC→AB+C type hydrogen atom abstraction reactions

T. Bérces, J. Dombi

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The equation L1XAB+ln(L1XAB)=-L2XBC-ln(L2XBC) is suggested to predict the minimum energy path for A+BC→AB+C type reactions. X=R-Ro, where Ro denotes the equilibrium bond length. Parameters L1 and L2 are assumed to depend on the properties of the bonds formed and cleaved, respectively.

Original languageEnglish
Pages (from-to)281-288
Number of pages8
JournalReaction Kinetics and Catalysis Letters
Volume5
Issue number3
DOIs
Publication statusPublished - Sep 1 1976

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ASJC Scopus subject areas

  • Catalysis
  • Physical and Theoretical Chemistry

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