Ab Initio Molecular Dynamics : (Record no. 123949)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 02138nam a22003138i 4500 |
| 001 - CONTROL NUMBER | |
| control field | CR9780511609633 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | UkCbUP |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20170526205637.0 |
| 006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS--GENERAL INFORMATION | |
| fixed length control field | m|||||o||d|||||||| |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION | |
| fixed length control field | cr|||||||||||| |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 090910s2009||||enk o ||1 0|eng|d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780511609633 (ebook) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| Cancelled/invalid ISBN | 9780521898638 (hardback) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| Cancelled/invalid ISBN | 9781107663534 (paperback) |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | UkCbUP |
| Language of cataloging | eng |
| Description conventions | rda |
| Transcribing agency | UkCbUP |
| 082 00 - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 541.394 |
| Edition number | 22 |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Marx, Dominik, |
| Relator term | author. |
| 245 10 - TITLE STATEMENT | |
| Title | Ab Initio Molecular Dynamics : |
| Remainder of title | Basic Theory and Advanced Methods / |
| Statement of responsibility, etc | Dominik Marx, Jürg Hutter. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 1 online resource (578 pages) : |
| Other physical details | digital, PDF file(s). |
| 500 ## - GENERAL NOTE | |
| General note | Title from publisher's bibliographic system (viewed on 28 Feb 2017). |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc | Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code. |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Hutter, Jürg, |
| Relator term | author. |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Display text | Print version: |
| International Standard Book Number | 9780521898638 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://doi.org/10.1017/CBO9780511609633">https://doi.org/10.1017/CBO9780511609633</a> |
| 952 ## - LOCATION AND ITEM INFORMATION (KOHA) | |
| Koha itemnumber | 162751 |
| 264 #1 - | |
| -- | Cambridge : |
| -- | Cambridge University Press, |
| -- | 2009. |
| 336 ## - | |
| -- | text |
| -- | txt |
| -- | rdacontent |
| 337 ## - | |
| -- | computer |
| -- | c |
| -- | rdamedia |
| 338 ## - | |
| -- | online resource |
| -- | cr |
| -- | rdacarrier |
| Withdrawn status | Lost status | Damaged status | Not for loan | Home library | Current library | Date acquired | Total Checkouts | Date last seen | Price effective from | Koha item type |
|---|---|---|---|---|---|---|---|---|---|---|
| Goa University Library | Goa University Library | 05/26/2017 | 05/26/2017 | 05/26/2017 | E-Books |