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+N2 exchange reaction.
On the semiclassical initial value calculation of thermal rate coefficients for the N + N2 reaction.
LAGANA', Antonio;FAGINAS LAGO, Maria Noelia;
2006
Abstract
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+N2 exchange reaction.File in questo prodotto:
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