Effect of bending potential on calculated product-state distributions for the reaction H+D2→HD+D

Normand C. Blais, Donald G Truhlar, Bruce C. Garrett

Research output: Contribution to journalArticlepeer-review

26 Scopus citations

Abstract

We have calculated trajectories for H+D2→HD+D using two potential energy surfaces that are identical for collinear geometries but differ for bent geometries. Weakening the bend potential has a negligible effect on the shape of the opacity function and product vibrational distribution but shifts the final rotational distribution upwards.

Original languageEnglish (US)
Pages (from-to)2300-2304
Number of pages5
JournalThe Journal of chemical physics
Volume82
Issue number5
DOIs
StatePublished - Jan 1 1985

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