MARC details
| 000 -LEADER |
|---|
| fixed length control field |
02760cam a2200325 i 4500 |
| 003 - CONTROL NUMBER IDENTIFIER |
|---|
| control field |
OSt |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
|---|
| control field |
20220404094956.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
|---|
| fixed length control field |
161028s2017 enk 001 0 eng c |
| 010 ## - LIBRARY OF CONGRESS CONTROL NUMBER |
|---|
| LC control number |
2016039772 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
|---|
| International Standard Book Number |
9781118825990 |
| Qualifying information |
(pbk.) |
| 040 ## - CATALOGING SOURCE |
|---|
| Transcribing agency |
CvSU Main Campus Library |
| Description conventions |
rda |
| 041 ## - LANGUAGE CODE |
|---|
| Language code of text/sound track or separate title |
eng |
| 050 00 - LIBRARY OF CONGRESS CALL NUMBER |
|---|
| Classification number |
QD455.3 |
| Item number |
E4J45 2017 |
| 100 ## - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Jensen, Frank |
| Relator term |
author |
| 9 (RLIN) |
11596 |
| 245 10 - TITLE STATEMENT |
|---|
| Title |
Introduction to computational chemistry / |
| Statement of responsibility, etc. |
Frank Jensen. |
| 250 ## - EDITION STATEMENT |
|---|
| Edition statement |
Third edition. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. |
|---|
| Place of publication, distribution, etc. |
Chichester West Sussex, UK ; Hoboken, NJ : |
| Name of publisher, distributor, etc. |
John Wiley & Sons, Ltd., |
| Date of publication, distribution, etc. |
c2017 |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
xxii, 638 pages |
| Other physical details |
; |
| Dimensions |
25 cm |
| 336 ## - CONTENT TYPE |
|---|
| Content type term |
text |
| Source |
rdacontent |
| 337 ## - MEDIA TYPE |
|---|
| Media type term |
unmediated |
| Source |
rdamedia |
| 338 ## - CARRIER TYPE |
|---|
| Carrier type term |
volume |
| Source |
rdacarrier |
| 500 ## - GENERAL NOTE |
|---|
| General note |
Includes index. |
| 505 ## - FORMATTED CONTENTS NOTE |
|---|
| Formatted contents note |
Introduction -- Force field methods -- Hartree-fock theory -- Electron correlation methods -- Basic sets -- Density functional methods<br/>-- Semi-empirical methods -- Valance bond methods -- Relativistic methods -- Wave function analysis -- Molecular properties -- Illustrating the concepts -- Optimization techniques -- Statistical mechanics and transition state theory -- Simulation techniques --<br/>Qualitative theories -- Mathematical methods -- Statistics and QSAR -- Concluding remarks -- Appendix A Notation -- Appendix B The Variational Principle -- The Hohenberg Kohn Theorems -- The Adiabatic Connection Formula -- Reference -- Appendix C Atomic Units -- Appendix D Matrix Construction -- Appendix E First and Second Quantization -- References.<br/> |
| 520 ## - SUMMARY, ETC. |
|---|
| Summary, etc. |
"Following on from the success of the second edition, introduction to computational chemistry, third edition, provides an updated account of the fundamental principle underlying different methods, ranging from classical to sophisticated quantum models. Subjects covered include molecular structures and energetics, molecular properties, dynamic aspects, relative methods and qualitative models. An accessible introduction to the field, covering theory and practical aspects, this classic text is an invaluable guide for advance undergraduates and graduate students entering the field of computational chemistry, as well as for professional researchers using computational methods as a tool for interpretations and designing new experiments and compounds."--Back cover |
| 541 ## - IMMEDIATE SOURCE OF ACQUISITION NOTE |
|---|
| Source of acquisition |
Fund 164 |
| Vendor |
Creative Mind Books Center |
| Method of acquisition |
Purchased |
| Date of acquisition |
09/05/2019 |
| Accession number |
77539 |
| Owner |
NEJ |
| Purchase price |
PHP 4,480.00 |
| PO No. |
2019-08-648 |
| ICS or PAR No. |
2019-1-0509 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name entry element |
Chemistry, Physical and theoretical |
| General subdivision |
Data processing |
| 9 (RLIN) |
1580 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name entry element |
Chemistry, Physical and theoretical |
| General subdivision |
Mathematics |
| 9 (RLIN) |
1580 |
| 856 ## - ELECTRONIC LOCATION AND ACCESS |
|---|
| Electronic File |
<a href="http://library.cvsu.edu.ph/cgi-bin/koha/opac-retrieve-file.pl?id=4aa3069a04cdebe1d1de32ad6fe757b9">http://library.cvsu.edu.ph/cgi-bin/koha/opac-retrieve-file.pl?id=4aa3069a04cdebe1d1de32ad6fe757b9</a> |
| Link text |
Click here to view the table of contents |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Source of classification or shelving scheme |
Library of Congress Classification |
| Koha item type |
Books |
