화학공학소재연구정보센터
Chemical Physics Letters, Vol.501, No.4-6, 252-256, 2011
Quantum dynamics of H + LiH+ reaction on its electronic ground state
State specific dynamics of the H + LiH+ reaction is theoretically investigated on its electronic ground potential energy surface employing a time-dependent wave packet approach. Channel specific integral reaction cross-sections and thermal rate constants are reported. Impact of the low-energy collision-induced dissociation channel on the reactive dynamics is discussed. (C) 2010 Elsevier B.V. All rights reserved.