Generalized semirigid vibrating rotor target model for atom-poly reaction: Inclusion of umbrella mode for H+CH4 reaction

Ming L. Wang; J. Z.H. Zhang

doi:10.1063/1.1494782

Generalized semirigid vibrating rotor target model for atom-poly reaction: Inclusion of umbrella mode for H+CH₄ reaction

Ming L. Wang, J. Z.H. Zhang

Chemistry

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

Abstract

The basic semirigid vibrating rotor target (SVRT) model was generalized by explicitly including additional vibrational modes of the reagent in the dynamics treatment. For application of the generalized SVRT (GSVRT) model to the current H+CH₄ reaction, the umbrella vibration mode of CH₄ was explicitly included in the dynamics model. Thus, the dimensionality of the SVRT mode was increased from 4 to 5 for a general polyatomic reaction with a single atom.

Original language	English (US)
Pages (from-to)	3081-3087
Number of pages	7
Journal	Journal of Chemical Physics
Volume	117
Issue number	7
DOIs	https://doi.org/10.1063/1.1494782
State	Published - Aug 15 2002

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1494782

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abstract = "The basic semirigid vibrating rotor target (SVRT) model was generalized by explicitly including additional vibrational modes of the reagent in the dynamics treatment. For application of the generalized SVRT (GSVRT) model to the current H+CH4 reaction, the umbrella vibration mode of CH4 was explicitly included in the dynamics model. Thus, the dimensionality of the SVRT mode was increased from 4 to 5 for a general polyatomic reaction with a single atom.",

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AB - The basic semirigid vibrating rotor target (SVRT) model was generalized by explicitly including additional vibrational modes of the reagent in the dynamics treatment. For application of the generalized SVRT (GSVRT) model to the current H+CH4 reaction, the umbrella vibration mode of CH4 was explicitly included in the dynamics model. Thus, the dimensionality of the SVRT mode was increased from 4 to 5 for a general polyatomic reaction with a single atom.

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Generalized semirigid vibrating rotor target model for atom-poly reaction: Inclusion of umbrella mode for H+CH₄ reaction

Abstract

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