Title of article :
Adiabatic quantum dynamics calculations of the rate constant for the N + NH → N2 + H reaction
Author/Authors :
Yang، نويسنده , , Huan and Varandas، نويسنده , , A.J.C.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2010
Abstract :
We present quantum mechanical calculations for the title reaction employing an adiabatic time-dependent wavepacket method. The initial state specified rate constants calculated from the fitted integral cross sections (ICSs) cover temperatures between 10 and 4000 K. ICSs obtained from the capture model method are also given. This approximation should give reliable estimates of the exact ICSs if denser partial waves are used for the low-energy region.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters