MARC details
| 000 -LEADER |
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| fixed length control field |
02620cam a2200361 a 4500 |
| 003 - CONTROL NUMBER IDENTIFIER |
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| control field |
CUTN |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20180412115819.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
940829s1995 enka b 001 0 eng |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9780198557401 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
0198557418 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
019855740X (pbk.) |
| 041 ## - LANGUAGE CODE |
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| Language |
English |
| 082 00 - DEWEY DECIMAL CLASSIFICATION NUMBER |
|---|
| Classification number |
542.85 |
| Edition number |
20 |
| Item number |
GRA |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Grant, Guy H. |
| 245 10 - TITLE STATEMENT |
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| Title |
Computational chemistry / |
| Statement of responsibility, etc |
Guy H. Grant, W. Graham Richards. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
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| Place of publication, distribution, etc |
Oxford [England] ; |
| -- |
New York : |
| Name of publisher, distributor, etc |
Oxford University Press, |
| Date of publication, distribution, etc |
1995 |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
90, [2] p. : |
| Other physical details |
ill. ; |
| Dimensions |
25 cm. |
| 440 #0 - SERIES STATEMENT/ADDED ENTRY--TITLE |
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| Title |
Oxford chemistry primers ; |
| Volume number/sequential designation |
29 |
| 500 ## - GENERAL NOTE |
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| General note |
The uses of computers in chemistry are many and varied, from the modelling of solid state systems to the design of complex molecules which can be used as drugs. This Primer provides an introduction to the many methods currently used by practising computational chemists and shows the value of computers in modern chemical research. In this clearly written text, the authors describe the various computational techniques available and explain how they can be applied to single molecules, to assemblies of molecules, and to molecules undergoing reaction. An introductory chapter outlines the hardware and software available, and looks at some applications and developments. Subsequent chapters cover quantum mechanics, molecular mechanics, statistical mechanics, the modelling of biomolecules, and drug design. Whilst emphasizing the use of computers to model biological systems, and the authors explain how the methods can be applied to a whole range of chemical problems. This primer will give students of chemistry a sound appreciation of the many ways in which modern computational methods can be used to solve real chemical problems. |
| 505 ## - FORMATTED CONTENTS NOTE |
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| Contents |
Introduction ; 1. Quantum mechanics ; 2. Molecular mechanics ; 3. Computational chemistry ; 4. Modelling biomolecules ; 5. Ligand design ; Concluding remarks ; Further reading ; Index |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name as entry element |
Chemistry |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
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| Personal name |
Richards, W. G. |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
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| Source of classification or shelving scheme |
Dewey Decimal Classification |
| Koha item type |
General Books |
| 856 42 - ELECTRONIC LOCATION AND ACCESS |
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| Uniform Resource Identifier |
<a href="http://www.loc.gov/catdir/enhancements/fy0604/94024733-d.html">http://www.loc.gov/catdir/enhancements/fy0604/94024733-d.html</a> |
| 856 41 - ELECTRONIC LOCATION AND ACCESS |
|---|
| Uniform Resource Identifier |
<a href="http://www.loc.gov/catdir/enhancements/fy0604/94024733-t.html">http://www.loc.gov/catdir/enhancements/fy0604/94024733-t.html</a> |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
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| Date of manufacture |
(1996 printing) |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE |
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| Bibliography, etc |
Includes bibliographical references (p. [92]) and index. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| General subdivision |
Data processing. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| General subdivision |
Computer simulation. |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
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| Fuller form of name |
(William Graham) |
| 856 42 - ELECTRONIC LOCATION AND ACCESS |
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| Materials specified |
Publisher description |
| 856 41 - ELECTRONIC LOCATION AND ACCESS |
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| Materials specified |
Table of contents only |
| 906 ## - LOCAL DATA ELEMENT F, LDF (RLIN) |
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| a |
7 |
| b |
cbc |
| c |
orignew |
| d |
1 |
| e |
ocip |
| f |
19 |
| g |
y-gencatlg |
