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.
['Noelia Faginas Lago', 'Antonio Laganà', 'Ernesto Garcia', 'Xavier Giménez']
Thermal rate coefficients for the N + N 2 reaction: quasiclassical, semiclassical and quantum calculations