Computer Modeling in Inorganic Crystallography

Autor: C. R. A. Catlow

Jazyk:

Vazba: Pevná

Vydavatel: Elsevier Science Publishing Co Inc

Dostupnost: Skladem u dodavatele v malém množství

Odesíláme za 14-21 dnů

4 140 Kč

Computer simulation techniques are now having a major impact on almost all areas of the physical and...

Informace o knize

Autor

C. R. A. Catlow

Jazyk

Angličtina

Vazba

Kniha - Pevná

Vydáno

1997

Stránek

340

EAN

9780121641351

ISBN

012164135X

Enbook ID

04492999

Vydavatel

Elsevier Science Publishing Co Inc

Hmotnost

700

Rozměry

152 x 229 x 21

Kompletní popis

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

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Computer Modeling in Inorganic Crystallography

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