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Molecular Response Functions for the Polarizable Continuum Model
Physical basis and quantum mechanical formalism
Udgivet af Springer International Publishing AG
ISBN
9783319009865
Om denne bog
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. Particu…
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Bogdetaljer
Forfatter
Roberto Cammi
Forlag
Springer International Publishing AG
Kategori
Kvantekemi og teoretisk kemi
ISBN-13
9783319009865
EAN
9783319009865
Format
Hæftet
Sprog
Engelsk
sider
58
Undertitel
- Physical basis and quantum mechanical formalism
Produktbeskrivelse
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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