A potential energy surface construction scheme for accurate reaction rate calculations: General approach and a test for the H+CH4→H2+CH3 reaction

Tao Wu; Uwe Manthe

doi:10.1063/1.1577328

Article Dans Une Revue Journal of Chemical Physics Année : 2003

A potential energy surface construction scheme for accurate reaction rate calculations: General approach and a test for the H+CH4→H2+CH3 reaction

(1) , (2)

1
2

Tao Wu

Fonction : Auteur

Technische Universität Munchen - Technical University Munich - Université Technique de Munich

Uwe Manthe

Fonction : Auteur
PersonId : 172929
IdHAL : uwe-manthe
ORCID : 0000-0002-4845-9633
IdRef : 253123127

Theoretische Chemie, TU Munchen, Germany

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Chimie Physique [physics]

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https://hal.science/hal-02018256

Soumis le : mercredi 13 février 2019-17:02:44

Dernière modification le : lundi 13 novembre 2023-10:56:04

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hal-02018256 , version 1 (13-02-2019)

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HAL Id : hal-02018256 , version 1
DOI : 10.1063/1.1577328

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Tao Wu, Uwe Manthe. A potential energy surface construction scheme for accurate reaction rate calculations: General approach and a test for the H+CH4→H2+CH3 reaction. Journal of Chemical Physics, 2003, 119 (1), pp.14-23. ⟨10.1063/1.1577328⟩. ⟨hal-02018256⟩

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A potential energy surface construction scheme for accurate reaction rate calculations: General approach and a test for the H+CH4→H2+CH3 reaction

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