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Computational chemistry of polyatomic reaction kinetics and dynamics: the quest for an accurate C[H.sub.5] potential energy surface

Authors :
Albu, Titus V.
Espinosa-Garcia, Joaquin
Truhlar, Donald G.
Source :
Chemical Reviews. Nov, 2007, Vol. 107 Issue 11, p5101, 32 p.
Publication Year :
2007

Abstract

The chemistry of several polyatomic reaction kinetics and dynamics is studied to demonstrate the importance of the C[H.sub.5] potential energy surfaces. These surfaces are found to have similar features that help them to efficiently support the reactions.

Details

Language :
English
ISSN :
00092665
Volume :
107
Issue :
11
Database :
Gale General OneFile
Journal :
Chemical Reviews
Publication Type :
Academic Journal
Accession number :
edsgcl.175345372