The H + D2 reaction: Quasiclassical simulation of nascent HD ro-vibrational state distributions under experimentally probed high-energy conditions

Normand C. Blais, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

26 Scopus citations

Abstract

We report quasiclassical-trajectory quadratic-smooth-sampling calculations of the product state distributions for H + D2 → HD + D reaction with four values of the initial relative translational energy, 1.5, 1.6, 2.25, and 2.4 eV, and with initial rotational quantum number sampled at 300 K. The results are used to simulate the experimental measurements at high collision energies of Rinnen, Kliner, Blake and Zare of the j′ distribution in the ν′ = 0 and 1 levels, where ν′ and j′ are final vibrational and rotational quantum numbers.

Original languageEnglish (US)
Pages (from-to)503-510
Number of pages8
JournalChemical Physics Letters
Volume162
Issue number6
DOIs
StatePublished - Oct 27 1989

Bibliographical note

Funding Information:
This work was supported in part by the US Department of Energy and the National Science Foundation.

Copyright:
Copyright 2014 Elsevier B.V., All rights reserved.

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