Molecular Response Functions for the Polarizable Continuum Model / SpringerBriefs in Molecular Science (PDF)
Physical basis and quantum mechanical formalism
(Sprache: Englisch)
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...
sofort als Download lieferbar
eBook (pdf)
54.99 €
- Lastschrift, Kreditkarte, Paypal, Rechnung
- Kostenloser tolino webreader
Produktdetails
Produktinformationen zu „Molecular Response Functions for the Polarizable Continuum Model / SpringerBriefs in Molecular Science (PDF)“
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.
Autoren-Porträt von Roberto Cammi
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
Bibliographische Angaben
- Autor: Roberto Cammi
- 2013, 2013, 58 Seiten, Englisch
- Verlag: Springer-Verlag GmbH
- ISBN-10: 3319009877
- ISBN-13: 9783319009872
- Erscheinungsdatum: 10.10.2013
Abhängig von Bildschirmgröße und eingestellter Schriftgröße kann die Seitenzahl auf Ihrem Lesegerät variieren.
eBook Informationen
- Dateiformat: PDF
- Größe: 1.12 MB
- Ohne Kopierschutz
- Vorlesefunktion
Sprache:
Englisch
Kommentar zu "Molecular Response Functions for the Polarizable Continuum Model / SpringerBriefs in Molecular Science"
Schreiben Sie einen Kommentar zu "Molecular Response Functions for the Polarizable Continuum Model / SpringerBriefs in Molecular Science".
Kommentar verfassen