MeI-CC 1,2-dimerisation, Def2-TZVPPD, G = -827.345930 - Henry Rzepa (Imperial College London, 2021)
Gaussian Calculation
Keywords: -827.345930; InChI=1S/2C3H4I/c2*1-3-4-2/h2*4H,2H3; InChI=1S/2C2I.2CH3/c2*1-2-3;;/h;;2*1H3; WZAKPWRVQAHWMO-UHFFFAOYSA-N; BWDGPHBGSDJYTH-UHFFFAOYSA-N