Molecular dynamics investigation of the bimolecular reaction BeH + [H.sub.2] -> Be[H.sub.2] + H on an ab initio potential-energy surface obtained using neural network methods with both potential and gradient accuracy determination

Subjects

Subjects :

Angular momentum -- Analysis
Beryllium -- Chemical properties
Beryllium -- Thermal properties
Hydrogen -- Chemical properties
Hydrogen -- Thermal properties
Molecular dynamics -- Usage
Neural networks -- Usage
Neural network
Chemicals, plastics and rubber industries

Details

Language :

English

ISSN :

10895639

Volume :

114

Issue :

1

Database :

Gale General OneFile

Journal :

Journal of Physical Chemistry A

Publication Type :

Academic Journal

Accession number :

edsgcl.217002158