Computer modelling of microporous materials / (notice n° 29805)
| 000 -LEADER | |
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| fixed length control field | 04917cam a2200685 i 4500 |
| 001 - CONTROL NUMBER | |
| control field | ocn162571348 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | OCoLC |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20211202105300.0 |
| 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 | 041122s2004 ne a ob 001 0 eng d |
| 010 ## - LIBRARY OF CONGRESS CONTROL NUMBER | |
| LC control number | 2009659263 |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | UK-RwCLS |
| Language of cataloging | eng |
| Transcribing agency | DLC |
| Modifying agency | SINTU |
| -- | EEICP |
| -- | OPELS |
| -- | OKU |
| -- | OCLCQ |
| -- | OPELS |
| -- | OCLCQ |
| -- | N$T |
| -- | ZCU |
| -- | IDEBK |
| -- | OCLCQ |
| -- | UKDOC |
| Description conventions | rda |
| 016 7# - NATIONAL BIBLIOGRAPHIC AGENCY CONTROL NUMBER | |
| Record control number | 0121641376 |
| Source | Uk |
| 019 ## - | |
| -- | 127119848 |
| -- | 154793186 |
| -- | 506996733 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 008047229X (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780080472294 (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780121641375 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 0121641376 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| Cancelled/invalid ISBN | 0121641376 (Cloth) |
| 029 1# - (OCLC) | |
| -- | NZ1 |
| -- | 12434863 |
| 029 1# - (OCLC) | |
| -- | AU@ |
| -- | 000051860544 |
| 029 1# - (OCLC) | |
| -- | AU@ |
| -- | 000043987975 |
| 035 ## - SYSTEM CONTROL NUMBER | |
| System control number | (OCoLC)162571348 |
| Canceled/invalid control number | (OCoLC)127119848 |
| -- | (OCoLC)154793186 |
| -- | (OCoLC)506996733 |
| 037 ## - SOURCE OF ACQUISITION | |
| Stock number | 096828 |
| Source of stock number/acquisition | MIL |
| 042 ## - AUTHENTICATION CODE | |
| Authentication code | lccopycat |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER | |
| Classification number | QC173.4.P67 |
| Item number | C66 2004eb |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | TEC |
| Subject category code subdivision | 021000 |
| Source | bisacsh |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 620.1160113 |
| Edition number | 22 |
| 049 ## - LOCAL HOLDINGS (OCLC) | |
| Holding library | MAIA |
| 245 00 - TITLE STATEMENT | |
| Title | Computer modelling of microporous materials / |
| Statement of responsibility, etc | edited by C.R.A. Catlow, R.A. van Santen, B. Smit. |
| 250 ## - EDITION STATEMENT | |
| Edition statement | 1st ed. |
| 264 #1 - | |
| -- | Amsterdam ; |
| -- | Boston : |
| -- | Elsevier : |
| -- | Academic Press, |
| -- | 2004. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 1 online resource (viii, 287 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 |
| 500 ## - GENERAL NOTE | |
| General note | Title from e-book title screen (viewed Nov. 15, 2007). |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE | |
| Bibliography, etc | Includes bibliographical references and index. |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | Static lattice modelling and structure prediction of micro- and mesoporous materials / C.R.A. Catlow, R.G. Bell and B. Slater -- Adsorption phenomena in microporous materials / B. Smit -- Dynamics of sorbed molecules in zeolites / Scott M. Auerbach, Fabien Jousse and Daniel P. Vercauteren -- Dynamic Monte Carlo simulations of diffusion and reactions in zeolites / Frerich J. Keil and Marc-Olivier Coppens -- Planewave pseudopotential modelling studies of zeolites / Julian D. Gale -- Reaction mechanisms in protonic zeolites / Xavier Rozanska and Rutger A. van Santen -- Structure and reactivity of metal ion species in high-silica zeolites / G.M. Zhidomirov, A.A. Shubin and R.A. van Santen -- Template-host interaction and template design / Dewi W. Lewis -- The interplay of simulation and experiment in zeolite science / Clive Freeman and Jörg-Rüdiger Hill. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc | Microporous materials, including both zeolites and aluminophosphates are amongst the most fascinating classes of materials, with wide ranging important applications in catalysis, gas separation and ion exchange. The breadth of the field has, moreover, been extended in the last ten years by the discovery of the versatile and exciting ranges of mesoporous materials. Computational methods have a long and successful history of application in solid state and materials science, where they are indeed established tools in modelling structural and dynamic properties of the bulk and surfaces of solids; and where they are playing an increasingly important role in understanding reactivity. Their application to zeolite science developed strongly in the 1980's, with the initial successes in modelling structure and sorption, and with emerging capability in quantum mechanical methods. The field was reviewed over ten years, since then there have been major developments in techniques and of course the power of the available hardware, which have promoted a whole range of new applications to real complex problems in the science of microporous materials. This book aims to summarise and illustrate the current capabilities of atomistic computer modelling methods in this growing field. - Details advances in the rapidly expanding field of microporous materials. - Summarises key current techniques in this type of modelling. - Illustrates the current capabilities of atomistic computer modelling methods. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Porous materials |
| General subdivision | Computer simulation. |
| 9 (RLIN) | 5467 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Microstructure |
| General subdivision | Computer simulation. |
| 9 (RLIN) | 46494 |
| 650 #6 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Matériaux poreux. |
| 9 (RLIN) | 46495 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | TECHNOLOGY & ENGINEERING |
| General subdivision | Material Science. |
| Source of heading or term | bisacsh |
| 9 (RLIN) | 46496 |
| 655 #4 - INDEX TERM--GENRE/FORM | |
| Genre/form data or focus term | Electronic books. |
| 9 (RLIN) | 20 |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Catlow, C. R. A. |
| Fuller form of name | (Charles Richard Arthur), |
| Dates associated with a name | 1947- |
| 9 (RLIN) | 37144 |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Santen, R. A. van |
| Fuller form of name | (Rutger A.) |
| 9 (RLIN) | 46497 |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Smit, B. J. |
| Fuller form of name | (Berend J.), |
| Dates associated with a name | 1935- |
| 9 (RLIN) | 46498 |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Display text | Print version: |
| Title | Computer modelling of microporous materials. |
| Edition | 1st ed. |
| Place, publisher, and date of publication | Amsterdam ; Boston : Elsevier : Academic Press, 2004 |
| Record control number | (DLC) 2009659263 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="http://www.sciencedirect.com/science/book/9780121641375">http://www.sciencedirect.com/science/book/9780121641375</a> |
| 938 ## - | |
| -- | Ingram Digital eBook Collection |
| -- | IDEB |
| -- | 96828 |
| 938 ## - | |
| -- | EBSCOhost |
| -- | EBSC |
| -- | 189465 |
| 938 ## - | |
| -- | 123Library.org |
| -- | 123L |
| -- | 37529 |
| 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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