UID:
almafu_9960073147202883
Umfang:
1 online resource (362 p.)
ISBN:
1-281-31141-3
,
9786611311414
,
0-08-050245-8
Inhalt:
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
Anmerkung:
Description based upon print version of record.
,
Front Cover; Computer Modelling in Inorganic Crystallography; Copyright Page; Contents; Preface; Contributors; Chapter 1. Need and Scope of Modelling Techniques; SECTION ONE: METHODOLOGIES; Chapter 2. Bond Valence Methods; Chapter 3. Lattice Energy and Free Energy Minimization Techniques; Chapter 4. Molecular Dynamics Methods; Chapter 5. Simulated Annealing and Structure Solution; Chapter 6. Reverse Monte Carlo Methods for Structural Modelling; Chapter 7. Defects, Surfaces and Interfaces; Chapter 8. Electronic Structure; SECTION TWO: CASE STUDIES
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Chapter 9. Silicates and Microporous MaterialsChapter 10. High-Tc Superconductors; Chapter 11. Molecular Crystals; Chapter 12. Amorphous Solids; Index; Color Plate Section
,
English
Weitere Ausg.:
ISBN 0-12-164135-X
Sprache:
Englisch
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