화학공학소재연구정보센터
Chemical Physics Letters, Vol.497, No.4-6, 159-162, 2010
Adiabatic quantum dynamics calculations of the rate constant for the N plus NH -> N-2 + H reaction
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.