Computer Modeling in Inorganic Crystallography

Nonfiction, Science & Nature, Science, Chemistry, Crystallography, Inorganic
Cover of the book Computer Modeling in Inorganic Crystallography by C.Richard A. Catlow, Elsevier Science
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: C.Richard A. Catlow ISBN: 9780080502458
Publisher: Elsevier Science Publication: February 3, 1997
Imprint: Academic Press Language: English
Author: C.Richard A. Catlow
ISBN: 9780080502458
Publisher: Elsevier Science
Publication: February 3, 1997
Imprint: Academic Press
Language: English

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.

  • 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
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

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.

More books from Elsevier Science

Cover of the book Transcriptional Gene Regulation in Health and Disease by C.Richard A. Catlow
Cover of the book Harnessing the Power of Viruses by C.Richard A. Catlow
Cover of the book Discovery of Novel Natural Products with Therapeutic Potential by C.Richard A. Catlow
Cover of the book Size Reduction of Divided Solids by C.Richard A. Catlow
Cover of the book Conceptual Breakthroughs in Ethology and Animal Behavior by C.Richard A. Catlow
Cover of the book Advances in Marine Biology by C.Richard A. Catlow
Cover of the book Fatigue and Fracture of Adhesively-Bonded Composite Joints by C.Richard A. Catlow
Cover of the book Advances in Planar Lipid Bilayers and Liposomes by C.Richard A. Catlow
Cover of the book Advances in Imaging and Electron Physics by C.Richard A. Catlow
Cover of the book Digital Participation through Social Living Labs by C.Richard A. Catlow
Cover of the book Advances in Parasitology by C.Richard A. Catlow
Cover of the book Generalized Continuum Mechanics and Engineering Applications by C.Richard A. Catlow
Cover of the book Advances in Parasitology by C.Richard A. Catlow
Cover of the book Caste Differentiation in Social Insects by C.Richard A. Catlow
Cover of the book Protective Clothing by C.Richard A. Catlow
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy