B3LYP/Def2-TZVPP, GD3BJ, TS chair CO2Et trans, ==> alt pi-face, trans G = -1718.297726 IRC ==> 2nd step TS -1718.295460 IRC

Name: B3LYP/Def2-TZVPP, GD3BJ, TS chair CO2Et trans, ==> alt pi-face, trans G = -1718.297726 IRC ==> 2nd step TS -1718.295460 IRC
Creator: Imperial College London
Published: 2024-05-24T05:48:41+08:00