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

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

35 Citations (Scopus)

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.

Original language	English
Pages (from-to)	6149-6153
Number of pages	5
Journal	Journal of Chemical Physics
Volume	113
Issue number	15
DOIs	https://doi.org/10.1063/1.1308544
Publication status	Published - 15 Oct 2000
Externally published	Yes

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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

Abstract

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