B3LYP/Def2-TZVPP, GD3BJ, TS chair t-butyl trans with t-butyl group equatorial, G = -1608.268690, DG = 1.8 (-1608.264075 alt pi-face trans, -1608.271559 cis) IRC ==> 2nd step G = -1608.266205, IRC

Name: B3LYP/Def2-TZVPP, GD3BJ, TS chair t-butyl trans with t-butyl group equatorial, G = -1608.268690, DG = 1.8 (-1608.264075 alt pi-face trans, -1608.271559 cis) IRC ==> 2nd step G = -1608.266205, IRC
Creator: Imperial College London
Published: 2024-02-25T11:42:20+08:00