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.
Thermal rate coefficients for the N + N2 reaction: Quasiclassical, semiclassical and quantum calculations
FAGINAS LAGO, Maria Noelia;LAGANA', Antonio;
2005
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.File in questo prodotto:
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