Frontier molecular orbital simulations for comparative prediction of reactivity and stability of steraric acidand lleicacid using density functional theory
By: Ituen, E. B
.
Contributor(s): Oluwaseyi, O. R | Asuquo, J. E.
Publisher: New Delhi Global Research Publication 2018Edition: Vol. 6(2), November-December.Description: 79-84p.Subject(s): Humanities and Applied Sciences | chemical reactivity | DFT | Frontier orbitals | Oleic acid | Stability
In:
International journal of advances in pure applied chemistrySummary: 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 ...........
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School of Engineering & Technology Archieval Section | Not for loan | 2018184 |
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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 ...........
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