Quantum wave-packet calculation of reaction probabilities, cross sections, and rate constants for Li+H2+ reaction
- 22 December 2005
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 123 (24) , 244301
Abstract
The Li+H2+(υ,j)→LiH(υ′,j′)+H+ reactive scattering has been studied by using quantum real wave-packet method. The state-to-state and state-to-all reaction probabilities for the entitled collision have been calculated. The probabilities show a smooth variation for all initial rotational quantum states. The J-shifting approximation has been employed to estimate the integral cross sections and thermal rate constants have been calculated.Keywords
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