Computer Modeling in Inorganic Crystallography

Name: Computer Modeling in Inorganic Crystallography
Price: 140.49 USD
Availability: InStock
ISBN: 9780121641351

ISBN-10: 012164135X

ISBN-13: 9780121641351

Edition: 1997

Authors: C. Richard A. Catlow

List price: $185.00

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Description:

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…

Book details

List price: $185.00
Copyright year: 1997
Publisher: Elsevier Science & Technology
Publication date: 2/3/1997
Binding: Hardcover
Pages: 340
Size: 5.98" wide x 9.02" long x 0.33" tall
Weight: 1.496
Language: English



Need and Scope of Modelling Techniques



Methodologies


Bond Valence Models



Lattice Energy and Free Energy Minimisation



Molecular Dynamics Methods



Distance Least Squares and Simulated Annealing Techniques



Reverse Monte Carlo Methods for Structure Modelling



Defects and Surface



Electronic Structure Techniques



Case Studies


Silicates and Microporous Solids



High Tc Superconductors



Molecular Crystals



Amorphous Solids



Subject


Index