Computational materials science / (notice n° 30093)
| 000 -LEADER | |
|---|---|
| fixed length control field | 04738cam a2200649Ii 4500 |
| 001 - CONTROL NUMBER | |
| control field | ocn162129900 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | OCoLC |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20211202110537.0 |
| 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 | 070802s2004 ne a ob 001 0 eng d |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | OPELS |
| Language of cataloging | eng |
| Transcribing agency | OPELS |
| Modifying agency | OCLCG |
| -- | OPELS |
| -- | OCLCQ |
| -- | SINTU |
| -- | N$T |
| -- | YDXCP |
| -- | MERUC |
| -- | IDEBK |
| -- | OCLCQ |
| Description conventions | rda |
| 019 ## - | |
| -- | 180933631 |
| -- | 441802304 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780444513007 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 0444513000 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780080529639 (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 0080529631 (electronic bk.) |
| 029 1# - (OCLC) | |
| -- | NZ1 |
| -- | 12432658 |
| 029 1# - (OCLC) | |
| -- | DEBBG |
| -- | BV039828536 |
| 029 1# - (OCLC) | |
| -- | NZ1 |
| -- | 15188783 |
| 035 ## - SYSTEM CONTROL NUMBER | |
| System control number | (OCoLC)162129900 |
| Canceled/invalid control number | (OCoLC)180933631 |
| -- | (OCoLC)441802304 |
| 037 ## - SOURCE OF ACQUISITION | |
| Stock number | 97422:97425 |
| Source of stock number/acquisition | Elsevier Science & Technology |
| Note | http://www.sciencedirect.com |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER | |
| Classification number | TA403.6 |
| Item number | C63 2004eb |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | QD |
| Source | lcco |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | TEC |
| Subject category code subdivision | 021000 |
| Source | bisacsh |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 620.11011 |
| Edition number | 22 |
| 049 ## - LOCAL HOLDINGS (OCLC) | |
| Holding library | MAIA |
| 245 00 - TITLE STATEMENT | |
| Title | Computational materials science / |
| Statement of responsibility, etc | edited by Jerzy Leszczynski. |
| 250 ## - EDITION STATEMENT | |
| Edition statement | 1st ed. |
| 264 #1 - | |
| -- | Amsterdam ; |
| -- | Boston : |
| -- | Elsevier, |
| -- | 2004. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 1 online resource (xiii, 457 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 | 15 |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc | Computational tools have been permanently deposited into the toolbox of theoretical chemists. The impact of new computational tools can hardly be overestimated, and their presence in research and applications is overwhelming. Theoretical methods such as quantum mechanics, molecular dynamics, and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs, and chemicals. This volume on Computational Material Sciences covers selected examples of notable applications of computational techniques to material science. The chapters contained in this volume include discussions of the phenomenon of chaos in chemistry, reaction network analysis, and mechanisms of formation of clusters. Details of more practical applications are also included in the form of reviews of computational design of new materials and the prediction of properties and structures of well known molecular assemblies. Current developments of effective computational methods, which will help in understanding, predicting, and optimizing periodic systems, nanostructures, clusters and model surfaces are also covered in this volume. 1. Reviews of current computational methods applied in material science 2. Reviews of practical applications of modelling of structures and properties of materials 3. Cluster and periodical approaches. |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | Chaos and Chemistry: Simple Models to Understand Chaos in Chemistry. -- Reaction Network Analysis. The Kinetics and Mechanism of Water-Gas-Shift Reaction on Cu(111). -- Clusters, the Intermediate State of Matter. -- Computer Simulation of Fullerenes and Fullerites. -- Theoretical Approaches to the Design of Functional Nanomaterials. -- Methods and Implementation of Robust, High-Precision Gaussian Basis DFT Calculations for Periodic Systems: The GTOFF Code. -- Many-Body Luminescence from Highly Excited -- Quantum-Confined Structures. -- Spin-Polarised Surfaces: Current State of Density Functional Theory Investigations. -- Simulating the Structure and Reactivity of Oxide Surfaces from First Principles. -- A Theory-Guided Design of Bimetallic Nanoparticle Catalysts for Fuel Cell Applications. -- Supported Metal Species and Adsorption Complexes on Metal Oxides and in Zeolites: Density Functional Cluster Model Studies. |
| 588 ## - | |
| -- | Description based on print version record. |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE | |
| Bibliography, etc | Includes bibliographical references and index. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Materials science |
| General subdivision | Mathematical models. |
| 9 (RLIN) | 48053 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Materials science |
| General subdivision | Computer simulation. |
| 9 (RLIN) | 48054 |
| 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) | 48055 |
| 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 | Leszczynski, Jerzy, |
| Dates associated with a name | 1949- |
| 9 (RLIN) | 48056 |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Display text | Print version: |
| Title | Computational materials science. |
| Edition | 1st ed. |
| Place, publisher, and date of publication | Amsterdam ; Boston : Elsevier, 2004 |
| International Standard Book Number | 0444513000 |
| -- | 9780444513007 |
| Record control number | (DLC) 2006273145 |
| -- | (OCoLC)54825586 |
| 830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE | |
| Uniform title | Theoretical and computational chemistry ; |
| Volume number/sequential designation | 15. |
| 9 (RLIN) | 48057 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="http://www.sciencedirect.com/science/book/9780444513007">http://www.sciencedirect.com/science/book/9780444513007</a> |
| 938 ## - | |
| -- | Otto Harrassowitz |
| -- | HARR |
| -- | har045007741 |
| -- | 210.00 EUR |
| 938 ## - | |
| -- | YBP Library Services |
| -- | YANK |
| -- | 2729741 |
| 938 ## - | |
| -- | Ingram Digital eBook Collection |
| -- | IDEB |
| -- | 104871 |
| 938 ## - | |
| -- | EBSCOhost |
| -- | EBSC |
| -- | 210213 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | Ebook |
| 956 ## - LOCAL ELECTRONIC LOCATION AND ACCESS (OCLC) | |
| Electronic name | Pré 2007 |
| 994 ## - | |
| -- | 92 |
| -- | MAIMI |
Pas d'exemplaire disponible.