Direct ab initio dynamics studies of N+H2↔NH+H reaction

Shaowen Zhang; Thanh N. Truong

doi:10.1063/1.1308544

Direct ab initio dynamics studies of N+H₂↔NH+H reaction

Shaowen Zhang, Thanh N. Truong

University of Utah

科研成果: 期刊稿件 › 文章 › 同行评审

35 引用（Scopus）

摘要

A high-level ab initio molecular orbital method was used to study the reactions of N atom with H₂ on several low-lying electronic states. The thermal rate constants of the N(⁴S)+H₂→NH+H reaction and its reverse action were calculated. The obtained data were analyzed in detail.

源语言	英语
页（从-至）	6149-6153
页数	5
期刊	Journal of Chemical Physics
卷	113
期	15
DOI	https://doi.org/10.1063/1.1308544
出版状态	已出版 - 15 10月 2000
已对外发布	是

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10.1063/1.1308544

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Zhang, S., & Truong, T. N. (2000). Direct ab initio dynamics studies of N+H₂↔NH+H reaction. Journal of Chemical Physics, 113(15), 6149-6153. https://doi.org/10.1063/1.1308544

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abstract = "A high-level ab initio molecular orbital method was used to study the reactions of N atom with H2 on several low-lying electronic states. The thermal rate constants of the N(4S)+H2→NH+H reaction and its reverse action were calculated. The obtained data were analyzed in detail.",

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AB - A high-level ab initio molecular orbital method was used to study the reactions of N atom with H2 on several low-lying electronic states. The thermal rate constants of the N(4S)+H2→NH+H reaction and its reverse action were calculated. The obtained data were analyzed in detail.

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Direct ab initio dynamics studies of N+H2↔NH+H reaction

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Direct ab initio dynamics studies of N+H₂↔NH+H reaction