Thermal rate coefficients for the N + N2 reaction: Quasiclassical, semiclassical and quantum calculations

Abstract

The thermal rate constants for the N + N2 gas-phase reaction have been calculated using the quasiclassical semiclassical and reduced dimensionality quantum methods. The improvement of semiclassical over quasiclassical calculations (with respect to quantum ones) is significant. © Springer-Verlag Berlin Heidelberg 2005.