Molecular Response Functions for the Polarizable Continuum Model
Physical basis and quantum mechanical formalism
Buch in deiner Nähe kaufen
Beschreibung
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 (i) to the description of the basic features of the PCM model, and (ii) 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 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.
Summarizes the Response Function Theory Highlights applications and limitations Single author publication
Autor*in
Roberto Cammi
Themen in »Molecular Response Functions for the Polarizable Continuum Model«
Ab-initio Electronic Structure Methods Continuum Solvation Models Density Functional Theory Molecular Response Functions PCM Polarizable Continuum Model RFT Response Functions Theory