Transition probabilities on Ga(2P,2S,and 2P)+CH4 reactions

摘要

First of all, the strategy to obtain the reaction pathways for Ga(2P,2S,and 2P)+CH4 interaction is the same as previously used by our group (Ref.50-52 in Ref.1) based on the original proposal by Chaquin et al.The initial approach (starting from 20 a.u.) of the Ga atom to one C-H bond was done in C_s symmetry on a plane containing the carbon atom and two hydrogen atoms.All the angles and distances obtained by self-consistent field to find the molecular geometry of the HGaCH3 intermediate are exhibited in Fig.1 of Ref.1.