TS Reductive elimination, Ion-pair isomer MN15L/Def2-TZVPP, G = -3633.944029 (ΔG = -9.8 compared to reparated ionpair), ΔG =17.8, G@T355P=58.26 = -3633.962145 ==> 17.6 kcal/mol

Name: TS Reductive elimination, Ion-pair isomer MN15L/Def2-TZVPP, G = -3633.944029 (ΔG = -9.8 compared to reparated ionpair), ΔG =17.8, G@T355P=58.26 = -3633.962145 ==> 17.6 kcal/mol
Creator: Imperial College London
Published: 2023-11-12T07:50:59+08:00