On the semiclassical initial value calculation of thermal rate coefficients for the N+N2 reaction.
In this paper we compare semiclassical initial value representation, conventional transition state theory with Wigner and Eckart tunneling correction, quantum reduced dimensionality, and quasiclassical thermal rate coefficients for N+N(2) exchange reaction.
Lago
N Faginas
NF
Department of Chemistry, University of Perugia, Via Elce di Sotto, 8-06123 Perugia, Italy.
Laganá
A
A
Gargano
R
R
Barreto
P R P
PR