Research ArticleOpen accessIn the author namesPhysical Properties of Phenol Compound: Semi-empirical Calculation of Substituent Effects [Part One]Ammar A. Ibrahim, Eid A. AbdalrazaqProblem statement: Physical properties of phenol compound such as steric energy, charge of oxygen, ionization potential, dipole moment, LUMO and bond length have been calculated. Approach: All molecular geometries were minimized by quantum mechanic especially at (AM1) method was used to investigate the effect of a variety of substituents on the phenol (H, o-Cl, p-Cl, m-Cl, o-CH3, m-CH3, p-CH3, o-NH2, … …American Journal of Applied Sciences, Vol. 6, Issue 7 · 31 Jul 2009 · 7,368 accessesView PDFCite