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Computer Modelling of Microporous Materials - C R A Catlow et al (AP, 2004) pdf

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 							ISBN 0-12-164137-6
  
  Microporous materials, including both zeolites and aluminophosphates are
amongst the most fascinating classes of materials, with wide ranging important applications in catalysis, gas separation
and ion exchange. The breadth of the field has, moreover, been extended in the last ten years by the discovery of the
versatile and exciting ranges of mesoporous materials.
  Computational methods have a long and successful history
of application in solid state and materials science, where they are indeed established tools in modelling structural and
dynamic properties of the bulk and surfaces of solids; and where they are playing an increasingly important role in
understanding reactivity. Their application to zeolite science developed strongly in the 1980's, with the initial
successes in modelling structure and sorption, and with emerging capability in quantum mechanical methods. The field was
reviewed over ten years, since then there have been major developments in techniques and of course the power of the
available hardware, which have promoted a whole range of new applications to real complex problems in the science of
microporous materials. This book aims to summarise and illustrate the current capabilities of atomistic computer
modelling methods in this growing field.
  
  - Details advances in the rapidly expanding field of microporous
materials.
  - Summarises key current techniques in this type of modelling.
  - Illustrates the current
capabilities of atomistic computer modelling methods. 						

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