Ituen, E. B.
Frontier molecular orbital simulations for comparative prediction of reactivity and stability of steraric acidand lleicacid using density functional theory - Vol. 6(2), November-December - New Delhi Global Research Publication 2018 - 79-84p.
The frontiermolecular orbitals (HOMO and LUMO) of stearic acid oleic acid were simulated based on their chemical structures using density functional theory (DFT) at the B3LYP/6-3IG*basic set level using spartan ' 10 wavefunction software to facilitate comparative prediction of their reactivity and stability based on some ...........
Humanities and Applied Sciences
chemical reactivity DFT Frontier orbitals Oleic acid Stability
Frontier molecular orbital simulations for comparative prediction of reactivity and stability of steraric acidand lleicacid using density functional theory - Vol. 6(2), November-December - New Delhi Global Research Publication 2018 - 79-84p.
The frontiermolecular orbitals (HOMO and LUMO) of stearic acid oleic acid were simulated based on their chemical structures using density functional theory (DFT) at the B3LYP/6-3IG*basic set level using spartan ' 10 wavefunction software to facilitate comparative prediction of their reactivity and stability based on some ...........
Humanities and Applied Sciences
chemical reactivity DFT Frontier orbitals Oleic acid Stability