| 000 -LEADER |
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| fixed length control field |
02440nam a22002897a 4500 |
| 003 - CONTROL NUMBER IDENTIFIER |
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| control field |
PK-SiUMT |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20220801170222.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
220526b ||||| |||| 00| 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9783319309149 |
| Terms of availability |
(print) |
| 024 7# - OTHER STANDARD IDENTIFIER |
|---|
| Standard number or code |
10.1007/978-3-319-30916-3 |
| Source of number or code |
doi |
| 040 ## - CATALOGING SOURCE |
|---|
| Transcribing agency |
PK-SiUMT |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER |
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| Classification number |
541.2 |
| Edition number |
23 |
| Item number |
LEW-C |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Lewars, Errol G. |
| 9 (RLIN) |
4487 |
| 245 10 - TITLE STATEMENT |
|---|
| Title |
Computational Chemistry: |
| Remainder of title |
introduction to the Theory and Applications of Molecular and Quantum Mechanics / |
| Statement of responsibility, etc. |
by Errol G. Lewars. |
| 250 ## - EDITION STATEMENT |
|---|
| Edition statement |
Third edition. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. |
|---|
| Place of publication, distribution, etc. |
Cham : |
| Name of publisher, distributor, etc. |
Springer International Publishing : |
| -- |
Imprint: Springer, |
| Date of publication, distribution, etc. |
c2016. |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
XVI, 728 pages. 211 illustrations., 7 illustrations. in color. |
| 505 0# - FORMATTED CONTENTS NOTE |
|---|
| Formatted contents note |
1. An Outline of What Computational Chemistry is All About -- 2. The Concept of the Potential Energy Surface -- 3. Molecular Mechanics -- 4. Introduction to Quantum Mechanics in Computational Chemistry -- 5. Ab Initio Calculations -- 6. Semiempirical Calculations -- 7. Density Functional Calculations -- 8. Some “Special” Topics -- 9. Selected Literature Highlights, Books, Websites, Software and Hardware -- Suggested Answers to Harder Questions -- Index. |
| 520 ## - SUMMARY, ETC. |
|---|
| Summary, etc. |
This is the third edition of the successful text-reference book that covers computational chemistry. It features changes to the presentation of key concepts and includes revised and new material with several expanded exercises at various levels such as 'harder questions' for those ready to be tested in greater depth - this aspect is absent from other textbooks in the field. Although introductory and assuming no prior knowledge of computational chemistry, it covers the essential aspects of the subject. There are several introductory textbooks on computational chemistry; this one is (as in its previous editions) a unique textbook in the field with copious exercises (and questions) and solutions with discussions. Noteworthy is the fact that it is the only book at the introductory level that shows in detail yet clearly how matrices are used in one important aspect of computational chemistry. It also serves as an essential guide for researchers, and as a reference book. <. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name entry element |
Chemistry. |
| 9 (RLIN) |
4488 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name entry element |
Chemometrics. |
| 9 (RLIN) |
4489 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name entry element |
Chemistry, Physical and theoretical. |
| 9 (RLIN) |
4490 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name entry element |
Chemical engineering. |
| 9 (RLIN) |
4491 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name entry element |
Biochemistry |
| 9 (RLIN) |
4492 |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY |
|---|
| Relationship information |
Printed edition: |
| International Standard Book Number |
9783319309149 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Source of classification or shelving scheme |
|
| Koha item type |
Books |
