Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH 4 → H 2 + CH 3 reaction on a neural network PES

Ralph Welsch; Uwe Manthe

doi:10.1063/1.4906825

Article Dans Une Revue Journal of Chemical Physics Année : 2015

Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH 4 → H 2 + CH 3 reaction on a neural network PES

(1) , (1)

1

Ralph Welsch

Fonction : Auteur

Universität Bielefeld = Bielefeld University

Uwe Manthe

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

Universität Bielefeld = Bielefeld University

Mots clés

MCTDH

Domaines

Chimie Physique [physics]

Alexandra Viel : Connectez-vous pour contacter le contributeur

https://hal.science/hal-02018442

Soumis le : mercredi 13 février 2019-20:18:47

Dernière modification le : vendredi 4 août 2023-15:19:42

Dates et versions

hal-02018442 , version 1 (13-02-2019)

Identifiants

HAL Id : hal-02018442 , version 1
DOI : 10.1063/1.4906825

Citer

Ralph Welsch, Uwe Manthe. Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH 4 → H 2 + CH 3 reaction on a neural network PES. Journal of Chemical Physics, 2015, 142 (6), pp.064309. ⟨10.1063/1.4906825⟩. ⟨hal-02018442⟩

Exporter

BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite

Collections

QDN

11 Consultations

0 Téléchargements

Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH 4 → H 2 + CH 3 reaction on a neural network PES

Mots clés

Domaines

Dates et versions

Identifiants

Citer

Exporter

Collections

Altmetric

Partager