Theoretical study on the reaction path and variational rate constant of the reaction HNCO + NH → NCO + NH2

Journal of Physical Chemistry A

Volumn 102, Issue 7, 1998, Pages 1194-1199

  Xu, Zhen Feng ^a   Sun, Jia Zhong ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NITROGEN COMPOUNDS; OPTIMIZATION;

HYDROGEN ABSTRACTION REACTION; INTRINSIC REACTION COORDINATE THEORY (IRC); TRANSITION STATE THEORY;

REACTION KINETICS;

EID: 0031998641     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972959n     Document Type: Article

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