Ab initio molecular orbital study of potential energy surface for the H2NO(2B1) → NO(2Π) + H2 reaction

Journal of Molecular Structure: THEOCHEM

Volumn 507, Issue 1-3, 2000, Pages 119-126

  Kurosaki, Yuzuru ^a   Takayanagi, Toshiyuki ^a  

^a JAPAN ATOMIC ENERGY AGENCY   (Japan)

Author keywords

Ab initio molecular orbital method; Conical intersection; First excited state potential energy surface; Intrinsic reaction coordinate (IRC)

Indexed keywords

HYDROGEN; NITRIC OXIDE;

ARTICLE; CHEMICAL REACTION; MOLECULAR DYNAMICS; REACTION ANALYSIS; THEORY; THERMODYNAMICS;

EID: 0034710236     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00370-X     Document Type: Article

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