Computational thermochemical study of enthalpies of formation of B-alkylthiophenes using ab initio and DFT calculations

摘要

The values for the standard molar enthalpies of formation of a series of the B -ring position alkyl-substituted thiophenes are calculated at 298.15 K using the Hartree-Fock (HF) and density functional theory (DFT) techniques. The results obtained are disc