Title of article :
Quasiclassical molecular dynamic calculations of vibrationally and rotationally state selected dissociation cross-sections: N+N2(v,j)→3N
Author/Authors :
Esposito، نويسنده , , F and Capitelli، نويسنده , , M، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1999
Abstract :
Complete sets of dissociation cross-sections for the process N+N2(v,j)→3N have been calculated by using a quasiclassical trajectory method over a potential energy surface developed by Laganá et al. (J. Phys. Chem. 91 (1987) 312). The results have been then used to calculate the global dissociation rate of the process for thermal conditions. The results show an Arrhenius behaviour and are in good agreement with experimental values.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters