Molecular Response Functions for the Polarizable Continuum Model

Physical basis and quantum mechanical formalism

Nonfiction, Science & Nature, Science, Physics, Solid State Physics, Chemistry, Physical & Theoretical
Cover of the book Molecular Response Functions for the Polarizable Continuum Model by Roberto Cammi, Springer International Publishing
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Author: Roberto Cammi ISBN: 9783319009872
Publisher: Springer International Publishing Publication: October 10, 2013
Imprint: Springer Language: English
Author: Roberto Cammi
ISBN: 9783319009872
Publisher: Springer International Publishing
Publication: October 10, 2013
Imprint: Springer
Language: English

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.

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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.

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