Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feed-forward neural networks

Journal of Chemical Physics

Volumn 124, Issue 5, 2006, Pages

  Doughan, D I ^a   Raff, L M ^a   Rockley, M G ^a   Hagan, M ^b   Agrawal, Paras M ^b   Komanduri, R ^b  

^a OKLAHOMA STATE UNIVERSITY   (United States)

^b Oklahoma State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION DYNAMICS; ELECTRONIC STRUCTURE CALCULATIONS; POTENTIAL-ENERGY SURFACE; VINYL BROMIDE;

ALGORITHMS; BROMINE COMPOUNDS; ELECTRONIC STRUCTURE; NEURAL NETWORKS; POLARIZATION; POTENTIAL ENERGY; REACTION KINETICS;

DISSOCIATION;

EID: 32044442293     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2162170     Document Type: Article

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