MARC details
| 000 -LEADER |
|---|
| fixed length control field |
02429cam a22003615i 4500 |
| 001 - CONTROL NUMBER |
|---|
| control field |
19372852 |
| 003 - CONTROL NUMBER IDENTIFIER |
|---|
| control field |
EG-ScBUE |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
|---|
| control field |
20250727093036.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
|---|
| fixed length control field |
161028t2017 enka f b 001 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
|---|
| International Standard Book Number |
9781118825990 (pbk.) |
| 040 ## - CATALOGING SOURCE |
|---|
| Original cataloging agency |
EG-ScBUE |
| Language of cataloging |
eng |
| Description conventions |
rda |
| Transcribing agency |
EG-ScBUE |
| Modifying agency |
EG-ScBUE |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER |
|---|
| Classification number |
541.0285 |
| Item number |
JEN |
| Edition number |
22 |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Jensen, Frank, |
| 9 (RLIN) |
41865 |
| Relator term |
author. |
| 245 10 - TITLE STATEMENT |
|---|
| Title |
Introduction to computational chemistry / |
| Statement of responsibility, etc |
Frank Jensen, Department of Chemistry, Aarhus University, Denmark. |
| 246 30 - VARYING FORM OF TITLE |
|---|
| Title proper/short title |
Computational chemistry |
| 250 ## - EDITION STATEMENT |
|---|
| Edition statement |
Third edition. |
| 264 #1 - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
|---|
| Place of publication, distribution, etc |
Chichester, UK : |
| Name of publisher, distributor, etc |
John Wiley & Sons, |
| Date of publication, distribution, etc |
[2017] |
| 264 #4 - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
|---|
| Date of publication, distribution, etc |
c2017 |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
xxii, 638 pages : |
| Other physical details |
illustrations ; |
| Dimensions |
24 cm |
| 336 ## - CONTENT TYPE |
|---|
| Source |
rdacontent |
| Content type term |
text |
| Content type code |
txt |
| 337 ## - MEDIA TYPE |
|---|
| Media type term |
unmediated |
| Source |
rdamedia |
| Media type code |
n |
| 338 ## - CARRIER TYPE |
|---|
| Carrier type term |
volume |
| Carrier type code |
nc |
| Source |
rdacarrier |
| 500 ## - GENERAL NOTE |
|---|
| General note |
Includes Appendices.<br/> |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE |
|---|
| Bibliography, etc |
Includes bibliographical references and index. |
| 505 0# - FORMATTED CONTENTS NOTE |
|---|
| Title |
Introduction --<br/> |
| -- |
Force field methods --<br/> |
| -- |
Hartree--Fock Theory --<br/> |
| -- |
Electron correlation methods --<br/> |
| -- |
Basis sets --<br/> |
| -- |
Density functional methods --<br/> |
| -- |
Semi-empirical methods --<br/> |
| -- |
Valence bond methods --<br/> |
| -- |
Relativistic methods --<br/> |
| -- |
Wave function analysis --<br/> |
| -- |
Molecular properties --<br/> |
| -- |
Illustrating the concepts --<br/> |
| -- |
Optimization techniques --<br/> |
| -- |
Statistical mechanics and transition state theory --<br/> |
| -- |
Simulation techniques --<br/> |
| -- |
Qualitative theories --<br/> |
| -- |
Mathematical methods --<br/> |
| -- |
Statistics and QSAR --<br/> |
| -- |
Concluding remarks. |
| 520 ## - SUMMARY, ETC. |
|---|
| Summary, etc |
"Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields; Tight-binding DFT; More extensive DFT functionals, excited states and time dependent molecular properties; Accelerated Molecular Dynamics methods; Tensor decomposition methods; Cluster analysis; Reduced scaling and reduced prefactor methods"--The publisher. |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Chemistry, Physical and theoretical |
| General subdivision |
Data processing. |
| Source of heading or term |
BUEsh |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Chemistry, Physical and theoretical |
| General subdivision |
Mathematics. |
| Source of heading or term |
BUEsh |
| 9 (RLIN) |
6147 |
| 651 ## - SUBJECT ADDED ENTRY--GEOGRAPHIC NAME |
|---|
| Source of heading or term |
BUEsh |
| 653 ## - INDEX TERM--UNCONTROLLED |
|---|
| Resource For college |
Engineering, Chemical |
| -- |
Engineering, General |
| -- |
Generalities |
| Arrived date list |
November2018 |
| 655 ## - INDEX TERM--GENRE/FORM |
|---|
| Form subdivision |
Reading book |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Source of classification or shelving scheme |
Dewey Decimal Classification |
| Koha item type |
Book - Borrowing |