화학공학소재연구정보센터
Chemical Physics Letters, Vol.583, 23-27, 2013
Analysis of the formation of CH+ in collision of C2+ ions with molecular hydrogen
A theoretical treatment of the different processes involved in the collision of C2+ ions with molecular hydrogen is developed with consideration of charge transfer and formation of the CH+ molecular ion. Calculations of the potential energy surfaces and couplings are performed by means of ab initio quantum chemistry methods. Analysis of the different routes is detailed. (C) 2013 Elsevier B. V. All rights reserved.