PM3 (chemistry)

PM3, or Parameterized Method 3, is a type of semi-empirical quantum chemistry method used for molecular modeling and calculations. It is part of a family of computational techniques that aim to simplify the quantum mechanical calculations needed to predict the behavior and properties of molecules, particularly organic compounds. PM3 is designed to strike a balance between computational efficiency and accuracy. It employs empirical parameters, which are derived from experimental data, to simplify the calculations of molecular orbitals and electronic interactions.