Computer modelling in inorganic crystallography:
Gespeichert in:
| Format: | Elektronisch E-Book |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
San Diego
Academic Press
c1997
|
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | Includes bibliographical references and index Computer simulation techniques are now having a major impact on almost all areas of the physical and biological sciences. This book concentrates on the application of these methods to inorganic materials, including topical and industrially relevant systems including zeolites and high Tc superconductors. The central theme of the book is the use of modern simulation techniques as a structural tool in solid state science. Computer Modelling in Inorganic Crystallography describes the current range of techniques used in modeling crystal structures, and strong emphasis is given to the use of modeling in predicting new crystal structures and refining partially known structures. It also reviews new opportunities being opened up by electronic structure calculation and explains the ways in which these techniques are illuminating our knowledge of bonding in solids. Key Features * Includes a thorough review of the technical basis of relevant contemporary methodologies including minimization, Monte-Carlo, molecular dynamics, simulated annealing methods, and electronic structure methods * Highlights applications to amorphous and crystalline solids * Surveys simulations of surface and defect properties of solids * Discusses applications to molecular and inorganic solids |
| Beschreibung: | 1 Online-Ressource (viii, 340 p., [8] p. of plates) |
| ISBN: | 9780121641351 012164135X 9780080502458 0080502458 1281311413 9781281311412 |
Internformat
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| 500 | |a Includes bibliographical references and index | ||
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Datensatz im Suchindex
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| dewey-full | 548 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 548 - Crystallography |
| dewey-raw | 548 |
| dewey-search | 548 |
| dewey-sort | 3548 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| format | Electronic eBook |
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| id | DE-604.BV042313740 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T01:18:09Z |
| institution | BVB |
| isbn | 9780121641351 012164135X 9780080502458 0080502458 1281311413 9781281311412 |
| language | English |
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| physical | 1 Online-Ressource (viii, 340 p., [8] p. of plates) |
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| spelling | Computer modelling in inorganic crystallography edited by C.R.A. Catlow San Diego Academic Press c1997 1 Online-Ressource (viii, 340 p., [8] p. of plates) txt rdacontent c rdamedia cr rdacarrier Includes bibliographical references and index Computer simulation techniques are now having a major impact on almost all areas of the physical and biological sciences. This book concentrates on the application of these methods to inorganic materials, including topical and industrially relevant systems including zeolites and high Tc superconductors. The central theme of the book is the use of modern simulation techniques as a structural tool in solid state science. Computer Modelling in Inorganic Crystallography describes the current range of techniques used in modeling crystal structures, and strong emphasis is given to the use of modeling in predicting new crystal structures and refining partially known structures. It also reviews new opportunities being opened up by electronic structure calculation and explains the ways in which these techniques are illuminating our knowledge of bonding in solids. Key Features * Includes a thorough review of the technical basis of relevant contemporary methodologies including minimization, Monte-Carlo, molecular dynamics, simulated annealing methods, and electronic structure methods * Highlights applications to amorphous and crystalline solids * Surveys simulations of surface and defect properties of solids * Discusses applications to molecular and inorganic solids Cristallographie / Simulation par ordinateur Chimie inorganique / Simulation par ordinateur Cristallographie / Informatique Chimie inorganique / Informatique Cristallographie mathématique Cristallographie ram Structure moléculaire ram Conception assistée par ordinateur ram Chimie inorganique ram SCIENCE / Physics / Crystallography bisacsh Crystallography Computer simulation Inorganic compounds Computer simulation Molecular structure Computer simulation Computersimulation (DE-588)4148259-1 gnd rswk-swf Kristallographie (DE-588)4033217-2 gnd rswk-swf Electronic books Computersimulation (DE-588)4148259-1 s Kristallographie (DE-588)4033217-2 s 1\p DE-604 Catlow, C. R. A. Sonstige oth http://www.sciencedirect.com/science/book/9780121641351 Verlag Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Computer modelling in inorganic crystallography Cristallographie / Simulation par ordinateur Chimie inorganique / Simulation par ordinateur Cristallographie / Informatique Chimie inorganique / Informatique Cristallographie mathématique Cristallographie ram Structure moléculaire ram Conception assistée par ordinateur ram Chimie inorganique ram SCIENCE / Physics / Crystallography bisacsh Crystallography Computer simulation Inorganic compounds Computer simulation Molecular structure Computer simulation Computersimulation (DE-588)4148259-1 gnd Kristallographie (DE-588)4033217-2 gnd |
| subject_GND | (DE-588)4148259-1 (DE-588)4033217-2 |
| title | Computer modelling in inorganic crystallography |
| title_auth | Computer modelling in inorganic crystallography |
| title_exact_search | Computer modelling in inorganic crystallography |
| title_full | Computer modelling in inorganic crystallography edited by C.R.A. Catlow |
| title_fullStr | Computer modelling in inorganic crystallography edited by C.R.A. Catlow |
| title_full_unstemmed | Computer modelling in inorganic crystallography edited by C.R.A. Catlow |
| title_short | Computer modelling in inorganic crystallography |
| title_sort | computer modelling in inorganic crystallography |
| topic | Cristallographie / Simulation par ordinateur Chimie inorganique / Simulation par ordinateur Cristallographie / Informatique Chimie inorganique / Informatique Cristallographie mathématique Cristallographie ram Structure moléculaire ram Conception assistée par ordinateur ram Chimie inorganique ram SCIENCE / Physics / Crystallography bisacsh Crystallography Computer simulation Inorganic compounds Computer simulation Molecular structure Computer simulation Computersimulation (DE-588)4148259-1 gnd Kristallographie (DE-588)4033217-2 gnd |
| topic_facet | Cristallographie / Simulation par ordinateur Chimie inorganique / Simulation par ordinateur Cristallographie / Informatique Chimie inorganique / Informatique Cristallographie mathématique Cristallographie Structure moléculaire Conception assistée par ordinateur Chimie inorganique SCIENCE / Physics / Crystallography Crystallography Computer simulation Inorganic compounds Computer simulation Molecular structure Computer simulation Computersimulation Kristallographie |
| url | http://www.sciencedirect.com/science/book/9780121641351 |
| work_keys_str_mv | AT catlowcra computermodellingininorganiccrystallography |