Calculated product-state distributions for the reaction H + D2 → HD + D at relative translational energies 0.55 and 1.30 eV

Normand C. Blais; Donald G. Truhlar

doi:10.1016/0009-2614(83)87376-X

Calculated product-state distributions for the reaction H + D₂ → HD + D at relative translational energies 0.55 and 1.30 eV

Normand C. Blais
, Donald G. Truhlar

Chemistry (Twin Cities)

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

79 Scopus citations

Abstract

We have used the quasiclassical trajectory method and the most accurate ab initio potential energy surface to calculate product vibrational-rotational distributions for H + D₂ → HD + D at two energies for comparison with two new experiments.

Original language	English (US)
Pages (from-to)	120-125
Number of pages	6
Journal	Chemical Physics Letters
Volume	102
Issue number	2-3
DOIs	https://doi.org/10.1016/0009-2614(83)87376-X
State	Published - Nov 18 1983

Bibliographical note

Funding Information:
We are grateful to Chuck Quick, George Schatz, Jim Valentini. and Dick Zare for helpful conversations and preprints. The work at Los Alamos National Laboratory was performed under the auspiceso f the US Department of Energy. and the work at the University of Minnesota was supported in part by the National Science Foundation under grant No. CHESO-25232.

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10.1016/0009-2614(83)87376-X

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abstract = "We have used the quasiclassical trajectory method and the most accurate ab initio potential energy surface to calculate product vibrational-rotational distributions for H + D2 → HD + D at two energies for comparison with two new experiments.",

author = "Blais, \{Normand C.\} and Truhlar, \{Donald G.\}",

note = "Funding Information: We are grateful to Chuck Quick, George Schatz, Jim Valentini. and Dick Zare for helpful conversations and preprints. The work at Los Alamos National Laboratory was performed under the auspiceso f the US Department of Energy. and the work at the University of Minnesota was supported in part by the National Science Foundation under grant No. CHESO-25232.",

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AB - We have used the quasiclassical trajectory method and the most accurate ab initio potential energy surface to calculate product vibrational-rotational distributions for H + D2 → HD + D at two energies for comparison with two new experiments.

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