110 likes | 218 Views
進 度 報 告. 日期 : 2005/10/25. 1. 找到 OBO - NgO ( Ng = He) 的 TS 2. 找到 OCN - NgO ( Ng = He, Ar) 的 TS 3. 找到 SCN - NgO ( Ng = He, Ar) 的 TS. OBO - NgO. OBO - NgO. OBO - NgO TS. OCN-NgO. SCN - NgO. OCN-NgO TS. SCN-NgO TS.
E N D
進 度 報 告 日期: 2005/10/25 1. 找到OBO-NgO ( Ng = He)的TS 2. 找到OCN-NgO ( Ng = He, Ar)的TS 3. 找到SCN-NgO ( Ng = He, Ar)的TS
OBO-NgO TS
OCN-NgO TS SCN-NgO TS
Calculated transition state geometry for the FNgO- OF- + Ng reaction at various levels. The bond lengths are in angstroms and the bond angles in degrees.