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Winner of the 2007 Trueblood Award of the American Crystallographic Association
Molecular Aggregation
Structure analysis and molecular simulation of crystals and liquids
Angelo Gavezzotti
448 pages
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140 line drawings, 5 halftones, tables
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234x156mm
978-0-19-857080-6
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Hardback
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30 November 2006
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- Summary of all the basic ideas, theories, methods, and conspicuous results of structure analysis and molecular modelling of the condensed phases of organic compounds
- Of interdisciplinary interest, including molecular structure analysis, applied quantum theory, intermolecular forces, molecular dynamics
- Primer and reference book for students and researchers in developing areas of materials science, such as crystal engineering, and of pharmaceutical science
- Richly illustrated
- Discusses many of the recent ideas and breakthroughs in the industry
This book is divided in two parts. Part I provides a brief but accurate summary of all the basic ideas, theories, methods, and conspicuous results of structure analysis and molecular modelling of the condensed phases of organic compounds: quantum chemistry, the intermolecular potential, force field and molecular dynamics methods, structural correlation, and thermodynamics. This Part is written in simple and intuitive form, so that the reader may easily find there the essential background for the discussions in the second part. Part II exposes the present status of studies in the analysis, categorization, prediction and control, at a molecular level,
of intermolecular interactions in liquids, solutions, mesophases, and crystals. The main focus is here on the links between energies, structures, and chemical or physical properties. Readership: Graduate students and professionals in crystallography, physical chemistry, physics and chemistry.
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Angelo Gavezzotti, Professor of Physical Chemistry, Fellow of the Royal Society of Chemistry, Department of Structural Chemistry, University of Milan
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"Fills a gap in the market ..., original and very topical, touching on the areas of molecular structure analysis, applied quantum theory, intermolecular forces, molecular dynamics, all with emphasis on the condensed states of matter.
" - Jack Dunitz, ETH Zurich
"...an original and readable book...stimulating and informative.
" - Sally Price, University College London
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1: The molecule: structure, size and shape
2: Molecular vibrations and molecular force fields
3: Quantum chemistry
4: The physical nature and the computer simulation of the intermolecular potential
5: Crystal symmetry and X-ray diffraction
6: Periodic systems: crystal orbitals and lattice dynamics
7: Molecular structure and macroscopic properties: calorimetry and thermodynamics
8: Correlation studies in organic solids
9: The liquid state
10: Computers
11: Structure-property and structure-activity relationships
12: Intermolecular bonding
13: Phase equilibria, phase changes and mesophases: analysis and simulation
14: Crystal polymorphism and crystal structure prediction
15: Epilogue: a theory of crysatllization?
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The specification in this catalogue, including without limitation price, format, extent, number of illustrations, and month of publication, was as accurate as possible at the time the catalogue was compiled. Occasionally, due to the nature of some contractual restrictions, we are unable to ship a specific product to a particular territory. Jacket images are provisional and liable to change before publication.
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