Tautomeris m and Minimum Po larizability Princip le

Computational ch emistry is a branch of quantum chemistry which is related to anal yzing, review ing and me asuring som e systems properties th at they can’t be measured directly, so it uses math and statistics and it branches in two: Molecular Mech anics Theory and Electronic Structure Theory. In this research, we tried to rev iew some of the mol ecules which are tautom ered for ea ch other an d according to the acquired energy (zero poi nt energy), select their stability from and review the Minimum Polarizability Princi ple. This principle states that the system goes along a status in order to reach the minimum po larizability. So, accord ing to this principle, an y molecule which has the least polarizability, it would have the maximum stability.

کلیدواژه ها:

Taut omer ، Stability ، Computational Che mistry ، Minimum Polarizability Principle