Theoretical calculations for the kinetics of the HN + NO reaction

S. Kristyan; Ming-Chang Lin

doi:10.1016/S0009-2614(98)01118-X

Theoretical calculations for the kinetics of the HN + NO reaction

S. Kristyan^*, Ming-Chang Lin

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摘要

The reaction of ³HN with NO producing H + N₂O and N₂ + OH has been investigated with the variational RRKM theory using existing potential energy surface data. The bimolecular constant for the loss of the reactants and those for the formation of N₂O and N₂ have been calculated and compared with experimental results. The agreement between theory and experiment appears to be satisfactory, although improvement in both areas of this important elementary reaction is desirable.

原文	English
頁（從 - 到）	200-204
頁數	5
期刊	Chemical Physics Letters
卷	297
發行號	3-4
DOIs	https://doi.org/10.1016/S0009-2614(98)01118-X
出版狀態	Published - 27 11月 1998

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10.1016/S0009-2614(98)01118-X

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title = "Theoretical calculations for the kinetics of the HN + NO reaction",

abstract = "The reaction of 3HN with NO producing H + N2O and N2 + OH has been investigated with the variational RRKM theory using existing potential energy surface data. The bimolecular constant for the loss of the reactants and those for the formation of N2O and N2 have been calculated and compared with experimental results. The agreement between theory and experiment appears to be satisfactory, although improvement in both areas of this important elementary reaction is desirable.",

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AU - Kristyan, S.

AU - Lin, Ming-Chang

PY - 1998/11/27

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N2 - The reaction of 3HN with NO producing H + N2O and N2 + OH has been investigated with the variational RRKM theory using existing potential energy surface data. The bimolecular constant for the loss of the reactants and those for the formation of N2O and N2 have been calculated and compared with experimental results. The agreement between theory and experiment appears to be satisfactory, although improvement in both areas of this important elementary reaction is desirable.

AB - The reaction of 3HN with NO producing H + N2O and N2 + OH has been investigated with the variational RRKM theory using existing potential energy surface data. The bimolecular constant for the loss of the reactants and those for the formation of N2O and N2 have been calculated and compared with experimental results. The agreement between theory and experiment appears to be satisfactory, although improvement in both areas of this important elementary reaction is desirable.

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U2 - 10.1016/S0009-2614(98)01118-X

DO - 10.1016/S0009-2614(98)01118-X

M3 - Article

AN - SCOPUS:0039506341

SN - 0009-2614

VL - 297

SP - 200

EP - 204

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 3-4

ER -

Theoretical calculations for the kinetics of the HN + NO reaction

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