TITLE

Transition state barrier height for the reaction H[sub 2]CO...H[sub 2]+CO studied by

AUTHOR(S)
Nakano, Haruyuki; Nakayama, Kenichi
PUB. DATE
March 1997
SOURCE
Journal of Chemical Physics;3/22/1997, Vol. 106 Issue 12, p4912
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Estimates the transition state barrier height of H[sub 2]CO->H[sub 2]+CO reaction using the second-order multireference Moller-Plesset perturbation method. Reduction of the activation energy by including the zero-point vibrational energy correction; Analysis of the second-order energies in terms of internal, semi-internal and external contributions.
ACCESSION #
4180942

 

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