This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed.
Devoted to solvation models in which reviews of the theory, the computational implementation
Solvation continuum models are treated using the different points of view from experts belonging to different research fields
Can be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and...
This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but c...
This Brief presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Continuum Model (PCM). PCM is a solvation model for a Quantum Mechanical molecular system in which the solvent is represented as a continuum distribution of matter. Particular attention is devoted to the description of the basic features of the PCM model, and to the problems characterizing the study of the response function theory for molecules in solution with respect to the analogous theory on isolated molecules.
This Brief presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Co...