State(R)-state(TS)-state(P) theoretical study of H + H2 system

• 作 者: SHEN Changsheng (沈长圣) JU Guanz
• 机 构: StateKeyLaboratoryofCoordinationChemistry,presentaddress:DepartmentofElectronicEngineering,StateKeyL
• 出 处: 中国科学：化学英文版
• 发表日期: 2002年5期
• 关键词: state(R)-state(TS)-state(P) SQCT H + H2 system. state(R)-state(TS)-state(P) SQ
• 基金项目: This work was supported by the National Science Foundation of China (Grant No. 20173027)

The calculation of H + H2 system by symplectic quasiclassical trajectory (SQCT) shows that there are two types of collision trajectories A and B, i.e., type A trajectory passes the saddle point of transition state (TS), whereas type B trajectory does not