hko, E S. & Vanqukkenborne, L G. General and theoretical aspects of phenols. The Chemistry of Phenols 2, 1-198(2003). 91. Pen• Pt, Wu. C. & Ponder. I. W. Polarizable atomic multipole-based molecular mechanics for organic molecules. Journal of chemical theory and computation 7.3143-3161 (2011). 92. Okruss. M.. M0