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Molecular Response Functions for the Polarizable Continuum Model
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Molecular Response Functions for the Polarizable Continuum Model

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.
Undertittel
Physical basis and quantum mechanical formalism
Forfatter
Roberto Cammi
Opplag
2013 ed.
ISBN
9783319009865
Språk
Engelsk
Vekt
310 gram
Utgivelsesdato
23.10.2013
Antall sider
58