Density functional theory : a practical introduction (Record no. 21685)
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000 -LEADER | |
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fixed length control field | 01049nam a22001817a 4500 |
005 - DATE AND TIME OF LATEST TRANSACTION | |
control field | 20220802153257.0 |
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
fixed length control field | 220802b ||||| |||| 00| 0 eng d |
020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
International Standard Book Number | 9780470373170 (hbk) |
040 ## - CATALOGING SOURCE | |
Transcribing agency | UE-CL |
082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER | |
Classification number | 530.144 |
Item number | Sh74 |
100 ## - MAIN ENTRY--PERSONAL NAME | |
Personal name | Sholl, David S. |
245 ## - TITLE STATEMENT | |
Title | Density functional theory : a practical introduction |
Statement of responsibility, etc | / David S. Sholl & Janice A. Steckel |
260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) | |
Place of publication, distribution, etc | USA : |
Name of publisher, distributor, etc | John Wiley & Sons, Inc, |
Date of publication, distribution, etc | 2009 |
300 ## - PHYSICAL DESCRIPTION | |
Extent | 238 p. |
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
Topical term or geographic name as entry element | Mathematical physics--Quantum chemistry--Density functionals |
942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
Koha item type | Books |
505 0# - FORMATTED CONTENTS NOTE | |
Formatted contents note | 1. What is density functional theory?<br/>2. DFT calculations for simple solids <br/>3. Nuts and bolts of DFT calculations <br/>4. DFT calculations for surfaces of solids <br/>5. DFT calculations of vibrational frequencies <br/>6. Calculating rates of chemical processes using transition state theory<br/>7. Equilibrium phase diagrams from AB initio thermodynamics <br/>8. Electronic structure and magnetic properties <br/>9. Ab initio molecular dynamics <br/>10. Accuracy and methods beyond “standard” calculations <br/> |
Withdrawn status | Damaged status | Not for loan | Home library | Current library | Date acquired | Full call number | Barcode | Date last seen | Price effective from | Koha item type |
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UE-Central Library | UE-Central Library | 02.08.2022 | 530.144 Sh74 | T16847 | 02.08.2022 | 02.08.2022 | Books | |||
UE-Central Library | UE-Central Library | 02.08.2022 | 530.144 Sh74 | T16848 | 18.01.2024 | 02.08.2022 | Books |