Molecular Response Functions for the Polarizable Continuum Model: Physical basis and quantum mechanical formalism - Couverture souple

Cammi, Roberto

Couverture souple

ISBN 10 : 3319009869 ISBN 13 : 9783319009865

Editeur : Springer, 2013

Synopsis

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.

A propos du livre

À propos de l?auteur

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

Détails de l'édition

• Éditeur: Springer
• Date d'édition: 2013
• Langue: anglais
• ISBN 10: 3319009869
• ISBN 13: 9783319009865
• Reliure: Broché
• Nombre de pages: 76
• Coordonnées du fabricant: non disponible
• Personne responsable: CMN Printpool Inh. Mathis Neumann; https://www.also.com/ec/cms5/en_6000/6000/index.jsp; ; Friedrich-Karl-Str. 9; Hamburg; Allemagne