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Molecular Modeling Applications in Crystallization
 
 
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Molecular Modeling Applications in Crystallization [Hardcover]

Allan S. Myerson (Editor)

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Book Description

0521552974 978-0521552974 June 28, 1999 1st
Crystallization is an important purification process used in a broad range of industries, including pharmaceuticals, foods, and bulk chemicals. In recent years, molecular modeling has emerged as a useful tool in the analysis and solution of problems associated with crystallization. Modeling allows more focused experimentation based on structural and energetic calculations instead of intuition and trial and error. This book offers a general introduction to molecular modeling techniques and their application in crystallization. After explaining the basic concepts of molecular modeling and crystallization, the book discusses how modeling techniques are used to solve a variety of practical problems related to crystal size, shape, internal structure, and properties. With chapters written by leading experts and an emphasis on problem solving, this book will appeal to scientists, engineers, and graduate students involved in research and the production of crystalline materials.

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"...this volume upholds the high standards of the Inorganic Synthesis series. It is highly recommended to the synthetic inorganic chemistry community." Materials Research Bulletin

Book Description

Crystallization is an important purification process used in a broad range of industries, including pharmaceuticals, foods, and bulk chemicals. In recent years, molecular modeling has emerged as a useful tool in the analysis and solution of problems associated with crystallization. This book is the first to offer an introduction to molecular modeling and its application in crystallization. First it explains basic concepts and then describes modeling techniques used to solve practical problems related to crystal size, shape, internal structure, and properties.With chapters written by leading experts and an emphasis on problem-solving, this book will appeal to scientists, engineers, and graduate students involved in research and the production of crystalline materials.

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Inside This Book (learn more)
First Sentence:
In recent years modeling methods based on computer simulation have become a useful tool in solving many scientific and engineering problems. Read the first page
Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
crystallization bonds, crystal crop, crystal graph, mechanical invariants, ion meshes, slice compositions, important intermolecular interactions, attachment energy, morphological importance, face indices, different surface sites, slice energy, roughening temperature, periodic bond chains, mother phase, racemic compound, possible crystal structures, packing coefficient, attachment energies, epitaxial nucleation, selective occlusion, habit modification, diffraction trace, platelike crystals, additive molecule
Key Phrases - Capitalized Phrases (CAPs): (learn more)
Monte Carlo, New York, Journal of the American Chemical Society, Journal of Crystal Growth, Oxford University Press, John Wiley, Journal of Physical Chemistry, Acta Crystallographica, Journal of Chemical Physics, Journal of Cristal Growth, Academic Press, Acta Crrstallographica, Cambridge University Press, All Rights, United States of America, Angewandte Chemie International Edition English, Cambridge Crystallographic Database, Chemical Crystallography, Elsevier Science, Faraday Discussions, Physical Review Letters, American Mineralogist, Intermolecular Distance, Israel Journal of Chemistry, Meenan Table
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