Generating reaction coordinates by the Pauling relation

Noam Agmon

doi:10.1016/0009-2614(77)80285-6

Generating reaction coordinates by the Pauling relation

Noam Agmon^*

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-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 language	English
Pages (from-to)	343-345
Number of pages	3
Journal	Chemical Physics Letters
Volume	45
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(77)80285-6
State	Published - 15 Jan 1977

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title = "Generating reaction coordinates by the Pauling relation",

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.",

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Generating reaction coordinates by the Pauling relation

Abstract

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