Modern density functional theory : (notice n° 30179)
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| fixed length control field | 05100cam a2200697Ii 4500 |
| 001 - CONTROL NUMBER | |
| control field | ocn162131070 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | OCoLC |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20211202110920.0 |
| 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 cn| |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 070802s1995 ne a ob 001 0 eng d |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | OPELS |
| Language of cataloging | eng |
| Transcribing agency | OPELS |
| Modifying agency | OKU |
| -- | OPELS |
| -- | OCLCQ |
| -- | N$T |
| -- | YDXCP |
| -- | MERUC |
| -- | IDEBK |
| -- | OCLCE |
| -- | OCLCQ |
| -- | OCLCF |
| Description conventions | rda |
| 019 ## - | |
| -- | 180942507 |
| -- | 441813075 |
| -- | 795027516 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780444821713 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 0444821716 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780080536705 (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 0080536700 (electronic bk.) |
| 029 1# - (OCLC) | |
| -- | NZ1 |
| -- | 12433050 |
| 029 1# - (OCLC) | |
| -- | NZ1 |
| -- | 15188840 |
| 035 ## - SYSTEM CONTROL NUMBER | |
| System control number | (OCoLC)162131070 |
| Canceled/invalid control number | (OCoLC)180942507 |
| -- | (OCoLC)441813075 |
| -- | (OCoLC)795027516 |
| 037 ## - SOURCE OF ACQUISITION | |
| Stock number | 126169:126618 |
| Source of stock number/acquisition | Elsevier Science & Technology |
| Note | http://www.sciencedirect.com |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER | |
| Classification number | QD462.6.D45 |
| Item number | M63 1995eb |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | SCI |
| Subject category code subdivision | 013050 |
| Source | bisacsh |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 541.2/8 |
| Edition number | 22 |
| 049 ## - LOCAL HOLDINGS (OCLC) | |
| Holding library | MAIA |
| 245 00 - TITLE STATEMENT | |
| Title | Modern density functional theory : |
| Remainder of title | a tool for chemistry / |
| Statement of responsibility, etc | edited by J.M. Seminario, P. Politzer. |
| 264 #1 - | |
| -- | Amsterdam ; |
| -- | New York : |
| -- | Elsevier, |
| -- | 1995. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 1 online resource (xi, 405 pages) : |
| Other physical details | illustrations. |
| 336 ## - CONTENT TYPE | |
| Content Type Term | text |
| Content Type Code | txt |
| Source | rdacontent |
| 337 ## - MEDIA TYPE | |
| Media Type Term | computer |
| Media Type Code | c |
| Source | rdamedia |
| 338 ## - CARRIER TYPE | |
| Carrier Type Term | online resource |
| Carrier Type Code | cr |
| Source | rdacarrier |
| 347 ## - | |
| -- | data file |
| -- | rda |
| 380 ## - | |
| -- | Bibliography |
| 490 1# - SERIES STATEMENT | |
| Series statement | Theoretical and computational chemistry ; |
| Volume number/sequential designation | 2 |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE | |
| Bibliography, etc | Includes bibliographical references and index. |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | An introduction to density functional theory in chemistry / Jorge M. Seminario -- Semilocal density functionals for exchange and correlation : theory and applications / Kieron Burke, John P. Perdew and Mel Levy -- The local-scaling version of density functional theory : a practical method for rigorous calculations of many-electron systems / Eduardo V. Ludeña, Eugene S. Kryachko, Toshikatsu Koga, Roberto López-Boada, Juergen Hinze, Jorge Maldonado and Elmer Valderrama -- Towards a practical algorithm for large molecule calculations / Zhongxiang Zhou -- Symmetry and density-functional exchange and correlation / Brett I. Dunlap -- Development, implementation and applications of efficient methodologies for density functional calculations / Benny G. Johnson -- DMol, a standard tool for density functional calculations : review and advances / B. Delley -- Constrained optimization procedure for finding transition states and reaction pathways in the framework of Gaussian based density functional method : the case of isomerization reactions / Y. Abashkin, N. Russo, E. Sicilia and M. Toscano -- The calculation of NMR and ESR spectroscopy parameters using density functional theory / Vladimir G. Malkin, Olga L. Malkina, Leif A. Eriksson and Dennis R. Salahub -- Density functional theory and transition metal oxides / Ewa Brocławik -- Density functional studies of decomposition processes of energetic molecules / Peter Politzer, Jorge M. Seminario and M. Edward Grice -- Density functional theory : further applications / Perla B. Balbuena and Jorge M. Seminario. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc | Density Functional Theory (DFT) is currently receiving a great deal of attention as chemists come to realize its important role as a tool for chemistry. This book covers the theoretical principles of DFT, and details its application to several contemporary problems. All current techniques are covered, many are critically assessed, and some proposals for the future are reviewed. The book demonstrates that DFT is a practical solution to the problems standard <IT>ab initio</IT> methods have with chemical accuracy. The book is aimed at both the theoretical chemist and the experimentalist who want to relate their experiments to the governing theory. It will prove a useful and enduring reference work. |
| 588 ## - | |
| -- | Description based on print version record. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Density functionals. |
| 9 (RLIN) | 48482 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Quantum chemistry. |
| 9 (RLIN) | 48483 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Electronic structure. |
| 9 (RLIN) | 48484 |
| 650 17 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Density function theory. |
| Source of heading or term | gtt |
| 9 (RLIN) | 48485 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | SCIENCE |
| General subdivision | Chemistry |
| -- | Physical & Theoretical. |
| Source of heading or term | bisacsh |
| 9 (RLIN) | 48486 |
| 653 0# - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | Quantum theory |
| 655 #4 - INDEX TERM--GENRE/FORM | |
| Genre/form data or focus term | Electronic books. |
| 9 (RLIN) | 20 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Density functionals. |
| Source of heading or term | fast |
| -- | (OCoLC)fst00890362 |
| 9 (RLIN) | 48482 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Electronic structure. |
| Source of heading or term | fast |
| -- | (OCoLC)fst00907474 |
| 9 (RLIN) | 48484 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Quantum chemistry. |
| Source of heading or term | fast |
| -- | (OCoLC)fst01085086 |
| 9 (RLIN) | 48483 |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Seminario, J. M. |
| 9 (RLIN) | 48250 |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Politzer, Peter, |
| Dates associated with a name | 1937- |
| 9 (RLIN) | 48487 |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Display text | Print version: |
| Title | Modern density functional theory. |
| Place, publisher, and date of publication | Amsterdam ; New York : Elsevier, 1995 |
| International Standard Book Number | 0444821716 |
| -- | 9780444821713 |
| Record control number | (DLC) 94044665 |
| -- | (OCoLC)31753587 |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Display text | Online version: |
| Title | Modern density functional theory. |
| Place, publisher, and date of publication | Amsterdam ; New York : Elsevier, 1995 |
| Record control number | (OCoLC)795027516 |
| 830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE | |
| Uniform title | Theoretical and computational chemistry ; |
| Volume number/sequential designation | 2. |
| 9 (RLIN) | 48488 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="http://www.sciencedirect.com/science/book/9780444821713">http://www.sciencedirect.com/science/book/9780444821713</a> |
| 938 ## - | |
| -- | YBP Library Services |
| -- | YANK |
| -- | 2729833 |
| 938 ## - | |
| -- | Ingram Digital eBook Collection |
| -- | IDEB |
| -- | 105826 |
| 938 ## - | |
| -- | EBSCOhost |
| -- | EBSC |
| -- | 210248 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | Ebook |
| 956 ## - LOCAL ELECTRONIC LOCATION AND ACCESS (OCLC) | |
| Electronic name | Pré 2007 |
| 994 ## - | |
| -- | 92 |
| -- | MAIMI |
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