Книга: Water Model: Computational Chemistry, Water Cluster, Water (Molecule), Molecular Mechanics, Dipolar Polarization

High Quality Content by WIKIPEDIA articles! In computational chemistry, classical water models are used for the simulation of water clusters, liquid water, and aqueous solutions with explicit solvent. These models use the approximations of molecular mechanics. Many different models have been proposed they can be classified by the number of points used to define the model (atoms plus dummy sites), whether the structure is rigid or flexible, and whether the model includes polarization effects.