TITLE

Mechanism of NH[sub 2]+CO[sub 2] formation in OH+HNCO reaction: Rate constant evaluation via ab

AUTHOR(S)
Sengupta, Debasis; Minh Tho Nguyen
PUB. DATE
June 1997
SOURCE
Journal of Chemical Physics;6/15/1997, Vol. 106 Issue 23, p9703
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Calculates portions of the potential energy surface related to the reaction among nitrogen, hydrogen and oxygen compound by means of ab initio molecular orbital theory. Hydrogen abstraction in the dominant reaction channel; Addition of the C atom requiring activation energy slightly larger than that of the abstraction.
ACCESSION #
4278718

 

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