Molecular dynamics investigations of chlorine peroxide dissociation on a neural network ab initio potential energy surface

Theoretical Chemistry Accounts

Volumn 131, Issue 3, 2012, Pages 1-13

  Le, Anh T H ^a   Vu, Nam H ^a   Dinh, Thach S ^a   Cao, Thi M ^a   Le, Hung M ^a  

^a VIETNAM NATIONAL UNIVERSITY   (Viet Nam)

Author keywords

Chlorine peroxide; ClO dimer; ClOOCl; Molecular dynamics; Neural network; Reaction kinetics

Indexed keywords

EID: 84856786784     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-012-1158-2     Document Type: Article

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