A theoretical study of cis-trans isomerization in HONO using an empirical valence bond potential

Journal of Chemical Physics

Volumn 118, Issue 4, 2003, Pages 1673-1678

  Guo, Yin ^a   Thompson, Donald L ^a  

^a OKLAHOMA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; COMPUTER SIMULATION; DAMPING; ELECTRON TUNNELING; ELECTRONIC STRUCTURE; ISOMERIZATION; MOLECULAR STRUCTURE; POTENTIAL ENERGY; SURFACES;

CIS-TRANS ISOMERIZATION; LOW ENERGY TUNNELING; MOLECULAR SYSTEMS; NITROUS ACID; POTENTIAL ENERGY SURFACES; PROPER ASYMPTOTIC BEHAVIOR; VALENCE BOND POTENTIAL;

NITROGEN COMPOUNDS;

EID: 0037460256     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1530585     Document Type: Article

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