Swern, initial TS for proton abstraction by NMe3 + Cl(-), Def2-TZVPP/CPCM (G = -1458.953030/-1,458.957978, for pericyclic TS, reactant = -1458.965242) G = -1458.941651 DG = 14.8, DDG = +7.1/10.2 kcal/mol

Name: Swern, initial TS for proton abstraction by NMe3 + Cl(-), Def2-TZVPP/CPCM (G = -1458.953030/-1,458.957978, for pericyclic TS, reactant = -1458.965242) G = -1458.941651 DG = 14.8, DDG = +7.1/10.2 kcal/mol
Creator: Imperial College London
Published: 2023-08-20T07:01:02+08:00