Metode Perhitungan Dalam kimia Komputasi

Molecular Mechanics (MM) Molecular Mechanics (MM) is a computational method that treats molecules as a collection of spheres connected by springs. This method is based on the laws of classical physics, where the total energy of a system is calculated as the sum of various interactions, such as bond, angular, and non-bonding interactions. MM is much faster than MK methods, making it ideal for very large systems such as proteins, DNA, or liquids. However, MM cannot explain phenomena related to electrons, such as the formation or breaking of chemical bonds. Molecular mechanics uses Newton's laws to describe the dynamics of atoms in molecules. Atoms are considered as spheres with a certain mass, while bonds are treated as springs that obey Hooke's law.