MARC ayrıntıları
| 000 -LEADER |
|---|
| fixed length control field |
02462cam a2200349 i 4500 |
| 001 - CONTROL NUMBER |
|---|
| control field |
14727 |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
|---|
| control field |
20251219152206.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
|---|
| fixed length control field |
000814s2001 nyua 001 0 eng |
| 010 ## - LIBRARY OF CONGRESS CONTROL NUMBER |
|---|
| LC control number |
00063341 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
|---|
| International Standard Book Number |
0471333689 |
| Qualifying information |
(cloth : alkaline paper) |
|
|---|
| International Standard Book Number |
9780471333685 |
| Qualifying information |
(cloth : alkaline paper) |
| 040 ## - CATALOGING SOURCE |
|---|
| Original cataloging agency |
DLC |
| Language of cataloging |
eng |
| Transcribing agency |
DLC |
| Modifying agency |
UKM |
| -- |
C#P |
| -- |
AGL |
| -- |
COU |
| -- |
IOJ |
| -- |
BAKER |
| -- |
YDXCP |
| -- |
BTCTA |
| -- |
LVB |
| -- |
OCLCG |
| -- |
IG# |
| -- |
CIT |
| -- |
STF |
| -- |
OCLCQ |
| -- |
ZWZ |
| -- |
BDX |
| -- |
OCLCQ |
| -- |
OCLCF |
| -- |
OCLCO |
| -- |
P4I |
| -- |
BAUN |
| Description conventions |
rda |
| 041 0# - LANGUAGE CODE |
|---|
| Language code of text/sound track or separate title |
eng |
| 049 ## - LOCAL HOLDINGS (OCLC) |
|---|
| Holding library |
BAUN_MERKEZ |
| 050 04 - LIBRARY OF CONGRESS CALL NUMBER |
|---|
| Classification number |
QD39.3.M3 |
| Item number |
Y68 2001 |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Young, David C., |
| Dates associated with a name |
1964- |
| Relator term |
Author |
| 9 (RLIN) |
96895 |
| 245 10 - TITLE STATEMENT |
|---|
| Title |
Computational chemistry : |
| Remainder of title |
a practical guide for applying techniques to real world problems / |
| Statement of responsibility, etc |
David C. Young. |
| 264 #1 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE |
|---|
| Place of production, publication, distribution, manufacture |
New York : |
| Name of producer, publisher, distributor, manufacturer |
Wiley, |
| Date of production, publication, distribution, manufacture, or copyright notice |
[2001] |
|
|---|
| Date of production, publication, distribution, manufacture, or copyright notice |
©2001 |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
xxiv, 381 pages : |
| Other physical details |
illustrations ; |
| Dimensions |
25 cm. |
| 336 ## - CONTENT TYPE |
|---|
| Content Type Term |
unspecified |
| Content Type Code |
zzz |
| Source |
rdacontent |
| 337 ## - MEDIA TYPE |
|---|
| Media Type Term |
unmediated |
| Media Type Code |
unmediated |
| Source |
rdamedia |
| 338 ## - CARRIER TYPE |
|---|
| Carrier Type Term |
volume |
| Carrier Type Code |
volume |
| Source |
rdacarrier |
| 500 ## - GENERAL NOTE |
|---|
| General note |
Includes index. |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE |
|---|
| Bibliography, etc |
Includes bibliographical references and index. |
| 505 00 - FORMATTED CONTENTS NOTE |
|---|
| Title |
Basic topics |
| -- |
-- Fundamental principles |
| -- |
-- Ab initio methods |
| -- |
-- Semiempirical methods |
| -- |
-- Density functional theory |
| -- |
-- Molecular mechanics |
| -- |
-- Molecular dynamics and Monto Carlo simulations |
| -- |
-- Predicting molecular geometry |
| -- |
-- Constructing a Z-matrix |
| -- |
-- Using existing basis sets |
| -- |
-- Molecular vibrations |
| -- |
-- Population analysis |
| -- |
-- Other chemical properties |
| -- |
-- Importance of symmetry |
| -- |
-- Efficient use of computer resources |
| -- |
-- How to conduct a computational research project |
| -- |
-- Advanced topics |
| -- |
-- Finding transition structures |
| -- |
-- Reaction coordinates |
| -- |
-- Reaction rates |
| -- |
-- Potential energy surfaces |
| -- |
-- Conformation searching |
| -- |
-- Fixing self-consistent field convergence problems |
| -- |
-- QM/MM |
| -- |
-- Solvation |
| -- |
-- Electronic excited states |
| -- |
-- Size consistency |
| -- |
-- Spin contamination |
| -- |
-- Basis of customization |
| -- |
-- Force field customization |
| -- |
-- Structure-property relationships |
| -- |
-- Computing NMR chemical shifts |
| -- |
-- Nonlinear optical properties |
| -- |
-- Relativistic effects |
| -- |
-- Band structures |
| -- |
-- Mesoscale methods |
| -- |
-- Synthesis route prediction |
| -- |
-- Applications |
| -- |
-- Computational chemist's view of the periodic table |
| -- |
-- Biomolecules |
| -- |
-- Simulating liquids |
| -- |
-- Polymers |
| -- |
-- Solids and surfaces. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Chemistry |
| General subdivision |
Mathematics. |
| 9 (RLIN) |
92691 |
|
|---|
| Topical term or geographic name as entry element |
Chemistry |
| General subdivision |
Data processing. |
| 9 (RLIN) |
104160 |
|
|---|
| Topical term or geographic name as entry element |
Chemistry |
| General subdivision |
Computer simulation. |
| 900 ## - EQUIVALENCE OR CROSS-REFERENCE-PERSONAL NAME [LOCAL, CANADA] |
|---|
| Numeration |
satın |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Source of classification or shelving scheme |
Library of Congress Classification |
| Koha item type |
Kitap |
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