Semirigid vibrating rotor target calculation for reaction H+HOD→H2+OD, HD+OH

Yi Min Li; Ming Liang Wang; John Z.H. Zhang; Dong H. Zhang

doi:10.1063/1.1359447

Semirigid vibrating rotor target calculation for reaction H+HOD→H₂+OD, HD+OH

Yi Min Li, Ming Liang Wang, John Z.H. Zhang, Dong H. Zhang

Chemistry

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

Abstract

The branching reaction on the Schatz-Elgersma potential energy surface was studied by the semigrid vibrating rotor target (SVRT). The reaction probabilities for producing two product branches were calculated and compared with the six dimensional dynamics. Comparison showed that SVRT reaction probabilitiesand cross-section for bith branching products were accurate within a wide range of collision energy.

Original language	English (US)
Pages (from-to)	7013-7017
Number of pages	5
Journal	Journal of Chemical Physics
Volume	114
Issue number	16
DOIs	https://doi.org/10.1063/1.1359447
State	Published - Apr 22 2001

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1359447

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title = "Semirigid vibrating rotor target calculation for reaction H+HOD→H2+OD, HD+OH",

abstract = "The branching reaction on the Schatz-Elgersma potential energy surface was studied by the semigrid vibrating rotor target (SVRT). The reaction probabilities for producing two product branches were calculated and compared with the six dimensional dynamics. Comparison showed that SVRT reaction probabilitiesand cross-section for bith branching products were accurate within a wide range of collision energy.",

author = "Li, {Yi Min} and Wang, {Ming Liang} and Zhang, {John Z.H.} and Zhang, {Dong H.}",

year = "2001",

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doi = "10.1063/1.1359447",

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AU - Zhang, Dong H.

PY - 2001/4/22

Y1 - 2001/4/22

N2 - The branching reaction on the Schatz-Elgersma potential energy surface was studied by the semigrid vibrating rotor target (SVRT). The reaction probabilities for producing two product branches were calculated and compared with the six dimensional dynamics. Comparison showed that SVRT reaction probabilitiesand cross-section for bith branching products were accurate within a wide range of collision energy.

AB - The branching reaction on the Schatz-Elgersma potential energy surface was studied by the semigrid vibrating rotor target (SVRT). The reaction probabilities for producing two product branches were calculated and compared with the six dimensional dynamics. Comparison showed that SVRT reaction probabilitiesand cross-section for bith branching products were accurate within a wide range of collision energy.

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Semirigid vibrating rotor target calculation for reaction H+HOD→H₂+OD, HD+OH

Abstract

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