Three-center semi-empirical potential energy surfaces for the reactions F+H2O and F+OH

Haya Kornweitz; Avigdor Persky

doi:10.1016/S0009-2614(00)01177-5

Three-center semi-empirical potential energy surfaces for the reactions F+H₂O and F+OH

Haya Kornweitz
, Avigdor Persky

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

Abstract

Three-center semi-empirical LEPS potential energy surfaces were constructed for the F+HX(X=OH) and F+OH reactions. Trajectory calculations on these surfaces reproduced quite well the available experimental results with regard to rate constants and vibrational state distributions of the products. The results are presented and discussed.

Original language	English
Pages (from-to)	132-136
Number of pages	5
Journal	Chemical Physics Letters
Volume	331
Issue number	2-4
DOIs	https://doi.org/10.1016/S0009-2614(00)01177-5
State	Published - 1 Dec 2000
Externally published	Yes

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10.1016/S0009-2614(00)01177-5

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title = "Three-center semi-empirical potential energy surfaces for the reactions F+H2O and F+OH",

abstract = "Three-center semi-empirical LEPS potential energy surfaces were constructed for the F+HX(X=OH) and F+OH reactions. Trajectory calculations on these surfaces reproduced quite well the available experimental results with regard to rate constants and vibrational state distributions of the products. The results are presented and discussed.",

author = "Haya Kornweitz and Avigdor Persky",

year = "2000",

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AU - Kornweitz, Haya

AU - Persky, Avigdor

PY - 2000/12/1

Y1 - 2000/12/1

N2 - Three-center semi-empirical LEPS potential energy surfaces were constructed for the F+HX(X=OH) and F+OH reactions. Trajectory calculations on these surfaces reproduced quite well the available experimental results with regard to rate constants and vibrational state distributions of the products. The results are presented and discussed.

AB - Three-center semi-empirical LEPS potential energy surfaces were constructed for the F+HX(X=OH) and F+OH reactions. Trajectory calculations on these surfaces reproduced quite well the available experimental results with regard to rate constants and vibrational state distributions of the products. The results are presented and discussed.

UR - https://www.scopus.com/pages/publications/0041725093

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JF - Chemical Physics Letters

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Three-center semi-empirical potential energy surfaces for the reactions F+H₂O and F+OH

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