Effect of orbital and rotational angular momentum averaging on branching ratios of dynamical resonances in the reaction H+p-H2→o-H2+H

Mirjana Mladenovic; Meishan Zhao; Donald G Truhlar; David W. Schwenke; Yan Sun; Donald J. Kouri

doi:10.1016/0009-2614(88)87459-1

Effect of orbital and rotational angular momentum averaging on branching ratios of dynamical resonances in the reaction H+p-H₂→o-H₂+H

Mirjana Mladenovic, Meishan Zhao, Donald G Truhlar, David W. Schwenke, Yan Sun, Donald J. Kouri

Chemistry (Twin Cities)

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

70 Scopus citations

Abstract

We report extensive quantum mechanical calculations of the product vibrational branching ratios in the title reaction. The calculations involve total angular momenta up to 2 and excited as well as ground initial rotational states, and they completely converged with up to 513 channels in individual total angular momentum/parity blocks. We compare to recent experiments by Nieh and Valentini.

Original language	English (US)
Pages (from-to)	358-363
Number of pages	6
Journal	Chemical Physics Letters
Volume	146
Issue number	5
DOIs	https://doi.org/10.1016/0009-2614(88)87459-1
State	Published - May 13 1988

Bibliographical note

Funding Information:
This work wass upportedin partb y the National ScienceF oundationa nd the MinnesotaS upercom-puterI nstitute.

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AU - Mladenovic, Mirjana

AU - Zhao, Meishan

AU - Truhlar, Donald G

AU - Schwenke, David W.

AU - Sun, Yan

AU - Kouri, Donald J.

N1 - Funding Information: This work wass upportedin partb y the National ScienceF oundationa nd the MinnesotaS upercom-puterI nstitute.

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Y1 - 1988/5/13

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AB - We report extensive quantum mechanical calculations of the product vibrational branching ratios in the title reaction. The calculations involve total angular momenta up to 2 and excited as well as ground initial rotational states, and they completely converged with up to 513 channels in individual total angular momentum/parity blocks. We compare to recent experiments by Nieh and Valentini.

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