TY - JOUR T1 - Modified enthalpies of formation for hydrocarbons from DFT and ab initio thermal energies JO - Computational and Theoretical Chemistry PY - 2011/03/01 AU - Shafagh I AU - Hughes KJ AU - Pourkashanian M ED - DO - DOI: 10.1016/j.comptc.2010.12.005 PB - Elsevier BV VL - 964 IS - 1-3 SP - 100 EP - 107 Y2 - 2024/12/22 ER -