Molecular Response Functions for the Polarizable Continuum Model: Physical basis and quantum mechanical formalism (SpringerBriefs in Molecular Science) - Tapa blanda

Libro 40 de 220: SpringerBriefs in Molecular Science

Cammi, Roberto

 
9783319009865: Molecular Response Functions for the Polarizable Continuum Model: Physical basis and quantum mechanical formalism (SpringerBriefs in Molecular Science)
Tapa blanda
ISBN 10: 3319009869 ISBN 13: 9783319009865
Editorial: Springer, 2013

Sinopsis

This book presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Continuum Model (PCM), highlighting both applications and limitations.

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Acerca del autor

Professor, Chemical Physics and Theoretical Chemistry, University of Parma, Ph.D. University of Parma Contributions to Gaussian: Analytical derivatives theory for the Polarizable Continuum Model (PCM) Research Interests Development of coupled-cluster level theories for analytical derivatives and molecular response functions of molecules in solution described with the Polarizable Continuum Model New computational methods for the study of molecular properties and molecular processes at high pressure (of the order of GPa) Cavity field effects for chiroptical response functions of molecules in solution. Solvation thermodynamics

De la contraportada

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.

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Editorial
Springer
Año de publicación
2013
Idioma
Inglés
ISBN 10 
3319009869
ISBN 13 
9783319009865
Encuadernación
Tapa blanda
Número de páginas
76
Contacto del fabricante
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