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  - 2024/09/19

ER  -