Molecular Modeling Applications in Crystallizationby Allan S. Myerson
Pub. Date: 07/31/2005
Publisher: Cambridge University Press
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 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.
- Cambridge University Press
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- 6.97(w) x 9.96(h) x 0.75(d)
Table of Contents1. Introduction to molecular modeling A. F. Izmailov and A. S. Myerson; 2. Crystallization basics A. S. Myerson; 3. The study of molecular materials using computational chemistry R. Docherty and P. Meenan; 4. Towards an understanding and control of nucleation, growth, habit, dissolution and structure of crystals using 'tailor made' auxiliaries I. Weissbuch, M. Lahav and L. Leiserowitz; 5. Ionic crystals in the Hartman-Perdock theory with case studies: ADP (NH4H2PO4)-type structures and gel-grown fractal ammonium chloride (NH4Cl) C. S. Strom, R. F. P. Grimbergen, P. Bennema, H. Meekes, M. A. Verheijen, L. V. P. Vogels and M. Wang; 6. The solid state structure of chiral organic pharmaceuticals G. P. Stahly and S. R. Bryn; Index.
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