Molecular Response Functions for the Polarizable Continuum Model: Physical basis and quantum mechanical formalism
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Cham [u.a.]
Springer
2013
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| Schriftenreihe: | SpringerBriefs in Molecular Science
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| Schlagworte: | |
| Online-Zugang: | UBT01 Volltext Inhaltsverzeichnis Abstract |
| Beschreibung: | 1 Online-Ressource |
| ISBN: | 9783319009872 |
| DOI: | 10.1007/978-3-319-00987-2 |
Internformat
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Datensatz im Suchindex
| _version_ | 1804151561187753984 |
|---|---|
| adam_text | MOLECULAR RESPONSE FUNCTIONS FOR THE POLARIZABLE CONTINUUM MODEL
/ CAMMI, ROBERTO
: 2013
TABLE OF CONTENTS / INHALTSVERZEICHNIS
INTRODUCTION
THE PCM MODEL FOR SOLVATED MOLECULES
THE DEFINITION OF THE BASIC MODEL
THE BASIC ENERGY FUNCTIONAL
THE QUANTUM MECHANICAL PROBLEM
THE COUPLED-CLUSTER EQUATIONS
ANALYTICAL DERIVATIVES THEORY FOR MOLECULAR SOLUTE
SOLUTE MOLECULAR PROPERTIES
THE COUPLED-CLUSTER ANALYTICAL DERIVATIVES
RESPONSE THEORY FOR MOLECULES IN SOLUTION
GENERAL RESPONSE THEORY FOR THE POLARIZABLE CONTIUUM MODEL
THE COUPLED-CLUSTER RESPONSE THEORY
DIESES SCHRIFTSTUECK WURDE MASCHINELL ERZEUGT.
MOLECULAR RESPONSE FUNCTIONS FOR THE POLARIZABLE CONTINUUM MODEL
/ CAMMI, ROBERTO
: 2013
ABSTRACT / INHALTSTEXT
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
DIESES SCHRIFTSTUECK WURDE MASCHINELL ERZEUGT.
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| isbn | 9783319009872 |
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| spelling | Cammi, Roberto Verfasser aut Molecular Response Functions for the Polarizable Continuum Model Physical basis and quantum mechanical formalism Roberto Cammi Cham [u.a.] Springer 2013 1 Online-Ressource txt rdacontent c rdamedia cr rdacarrier SpringerBriefs in Molecular Science Chemie Chemistry Chemistry, Physical organic Erscheint auch als Druckausgabe 978-3-319-00986-5 https://doi.org/10.1007/978-3-319-00987-2 Verlag Volltext Springer Fremddatenuebernahme application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026888563&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis Springer Fremddatenuebernahme application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026888563&sequence=000003&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA Abstract |
| spellingShingle | Cammi, Roberto Molecular Response Functions for the Polarizable Continuum Model Physical basis and quantum mechanical formalism Chemie Chemistry Chemistry, Physical organic |
| title | Molecular Response Functions for the Polarizable Continuum Model Physical basis and quantum mechanical formalism |
| title_auth | Molecular Response Functions for the Polarizable Continuum Model Physical basis and quantum mechanical formalism |
| title_exact_search | Molecular Response Functions for the Polarizable Continuum Model Physical basis and quantum mechanical formalism |
| title_full | Molecular Response Functions for the Polarizable Continuum Model Physical basis and quantum mechanical formalism Roberto Cammi |
| title_fullStr | Molecular Response Functions for the Polarizable Continuum Model Physical basis and quantum mechanical formalism Roberto Cammi |
| title_full_unstemmed | Molecular Response Functions for the Polarizable Continuum Model Physical basis and quantum mechanical formalism Roberto Cammi |
| title_short | Molecular Response Functions for the Polarizable Continuum Model |
| title_sort | molecular response functions for the polarizable continuum model physical basis and quantum mechanical formalism |
| title_sub | Physical basis and quantum mechanical formalism |
| topic | Chemie Chemistry Chemistry, Physical organic |
| topic_facet | Chemie Chemistry Chemistry, Physical organic |
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