Cis→trans, trans→cis isomerizations and N-O bond dissociation of nitrous acid (HONO) on an ab initio potential surface obtained by novelty sampling and feed-forward neural network fitting

Journal of Chemical Physics

Volumn 128, Issue 19, 2008, Pages

  Le, Hung M ^a   Raff, Lionel M ^a  

^a OKLAHOMA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOND STRENGTH (CHEMICAL); DISSOCIATION; ELECTRONIC STRUCTURE; FEEDFORWARD NEURAL NETWORKS; INTERPOLATION; ISOMERIZATION; NITROGEN COMPOUNDS; REACTION RATES;

CIS-TRANS ISOMERIZATION RATES; COMPUTATIONAL REQUIREMENTS; DISSOCIATION DYNAMICS; DISSOCIATION RATE COEFFICIENTS;

ORGANIC ACIDS;

EID: 44349100946     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2918503     Document Type: Article

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