Tautomerism and Minimum Polarizability Principle

Abstract

Computational chemistry is a branch of quantum chemistry which is related to analyzing, reviewing and measuring some systems properties that they can’t be measured directly, so it uses math and statistics and it branches in two: Molecular Mechanics Theory and Electronic Structure Theory. In this research, we tried to review some of the molecules which are tautomered for each other and according to the acquired energy (zero point energy), select their stability from and review the Minimum Polarizability Principle. This principle states that the system goes along a status in order to reach the minimum polarizability. So, according to this principle, any molecule which has the least polarizability, it would have the maximum stability