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| 003 - CONTROL NUMBER IDENTIFIER |
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| 005 - DATE AND TIME OF LATEST TRANSACTION |
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20140310153328.0 |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION |
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131010s2013 gw | s |||| 0|eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9783319009872 |
|
978-3-319-00987-2 |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER |
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| Classification number |
QD450-801 |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER |
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| Classification number |
541.2 |
| Edition number |
23 |
| 264 #1 - |
|---|
| -- |
Cham : |
| -- |
Springer International Publishing : |
| -- |
Imprint: Springer, |
| -- |
2013. |
| 912 ## - |
|---|
| -- |
ZDB-2-CMS |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Cammi, Roberto. |
| Relator term |
author. |
| 245 10 - IMMEDIATE SOURCE OF ACQUISITION NOTE |
|---|
| Title |
Molecular Response Functions for the Polarizable Continuum Model |
| Medium |
[electronic resource] : |
| Remainder of title |
Physical basis and quantum mechanical formalism / |
| Statement of responsibility, etc |
by Roberto Cammi. |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
XVI, 58 p. |
| Other physical details |
online resource. |
| 440 1# - SERIES STATEMENT/ADDED ENTRY--TITLE |
|---|
| Title |
SpringerBriefs in Molecular Science, |
| International Standard Serial Number |
2191-5407 |
| 505 0# - FORMATTED CONTENTS NOTE |
|---|
| Formatted contents note |
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. |
| 520 ## - SUMMARY, ETC. |
|---|
| Summary, etc |
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. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Chemistry. |
|
|---|
| Topical term or geographic name as entry element |
Chemistry, Physical organic. |
|
|---|
| Topical term or geographic name as entry element |
Chemistry. |
|
|---|
| Topical term or geographic name as entry element |
Theoretical and Computational Chemistry. |
|
|---|
| Topical term or geographic name as entry element |
Physical Chemistry. |
|
|---|
| Topical term or geographic name as entry element |
Condensed Matter Physics. |
| 710 2# - ADDED ENTRY--CORPORATE NAME |
|---|
| Corporate name or jurisdiction name as entry element |
SpringerLink (Online service) |
| 773 0# - HOST ITEM ENTRY |
|---|
| Title |
Springer eBooks |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY |
|---|
| Display text |
Printed edition: |
| International Standard Book Number |
9783319009865 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS |
|---|
| Uniform Resource Identifier |
http://dx.doi.org/10.1007/978-3-319-00987-2 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Source of classification or shelving scheme |
|
| Item type |
E-Book |
