Progressive Systematic Underestimation of Reaction Energies by the B3LYP Model as the Number of C−C Bonds Increases: Why Organic Chemists Should Use Multiple DFT Models for Calculations Involving Polycarbon Hydrocarbons
[reaction: see text] Computational studies of three different reaction types involving hydrocarbons (homolytic C-C bond breaking of alkanes, progressive insertions of triplet me...