B3LYP/Def2-TZVPP, GD3BJ, TS chair t-butyl cis, G = -1608.271559, ==> 2nd step G = -1608.269820 DG = 2.27 kcal/mol, Dispersion term -0.0873905099 DDisp 3.24 kcal/mol

Name: B3LYP/Def2-TZVPP, GD3BJ, TS chair t-butyl cis, G = -1608.271559, ==> 2nd step G = -1608.269820 DG = 2.27 kcal/mol, Dispersion term -0.0873905099 DDisp 3.24 kcal/mol
Creator: Imperial College London
Published: 2024-09-03T08:35:26+08:00