Theoretical investigation of the potential energy surface for the NH2+NO reaction via density functional theory and ab initio molecular electronic structure theory

Journal of Chemical Physics

Volumn 106, Issue 22, 1997, Pages 9236-9251

  Diau, Eric W G ^a   Smith, Sean C ^a  

^a UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDE; DENSITY FUNCTIONAL THEORY; POTENTIAL ENERGY SURFACE;

APPROXIMATION THEORY; CHEMICAL BONDS; DISSOCIATION; ELECTRONIC STRUCTURE; ENTHALPY; ISOMERIZATION; MOLECULAR VIBRATIONS; NITROGEN COMPOUNDS; REACTION KINETICS; SURFACE PHENOMENA;

CHEMICAL REACTIONS;

EID: 0031559355     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474025     Document Type: Article

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