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Energetic and structural features of the CH[sub 4]+O(sup 3]P)...CH[sub 3]+OH abstraction...

Authors :
Robert-Neto, Orlando
Machado, Francisco B.C.
Truhlar, Donald G.
Source :
Journal of Chemical Physics. 12/8/1999, Vol. 111 Issue 22, p10046. 7p. 1 Diagram, 5 Charts.
Publication Year :
1999

Abstract

Examines the stationary point of abstraction reaction at the fully optimized reaction space (FORS) level. Single-point calculations by unrestricted Moller-Plesset fourth order perturbation theory; Values of the activation energies.

Subjects

Subjects :
*CHEMICAL reactions
*PERTURBATION theory

Details

Language :
English
ISSN :
00219606
Volume :
111
Issue :
22
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4360194
Full Text :
https://doi.org/10.1063/1.480356
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