B3LYP/Def2-TZVPP, GD3BJ, TS chair t-butyl trans, alt pi-face, with t-butyl group equatorial, G = -1608.268690, DG = 1.8 higher than cis.

Name: B3LYP/Def2-TZVPP, GD3BJ, TS chair t-butyl trans, alt pi-face, with t-butyl group equatorial, G = -1608.268690, DG = 1.8 higher than cis.
Published: 2024-02-17T00:55:44+08:00