B3LYP/Def2-TZVPP, GD3BJ, TS chair trifluoromethyl trans, G = -1788.242385, ==> 2nd step TS G = -1788.240431 IRC

Name: B3LYP/Def2-TZVPP, GD3BJ, TS chair trifluoromethyl trans, G = -1788.242385, ==> 2nd step TS G = -1788.240431 IRC
Creator: Imperial College London
Published: 2024-01-25T14:47:52+08:00