Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

The family of PCM models

A general description of quantum-chemical models based on a representation of the solvent as an infinite polarizable dielectric medium (dielectric continuum) is given below. All of these models are derived from the direct solution of the Poisson equations [21] defining the total electrostatic potential as [Pg.169]

The evaluation of the charge density at the different surface elements ((j(Si)) is performed by solving the Poisson-Laplace equation which leads to [Pg.170]


See other pages where The family of PCM models is mentioned: [Pg.169]   


SEARCH



Family model

PCM

PCM model

PCMs

The PCM Model

© 2024 chempedia.info