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Molecular Aggregation Angelo Gavezzotti (Professor of Physical Chemistry, Fellow of the Royal Society of Chemistry, Department of Structural Chemistry, University of Milan)

Molecular Aggregation By Angelo Gavezzotti (Professor of Physical Chemistry, Fellow of the Royal Society of Chemistry, Department of Structural Chemistry, University of Milan)

Molecular Aggregation by Angelo Gavezzotti (Professor of Physical Chemistry, Fellow of the Royal Society of Chemistry, Department of Structural Chemistry, University of Milan)

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Summary

The book is divided in two parts, to supply first the basic elements of the language, with short but complete explanations of terms, methods and theories; and then to describe the present status of studies on the processes by which organic molecules aggregate to form observable bodies and to determine their physical and chemical properties.

Molecular Aggregation Summary

Molecular Aggregation: Structure analysis and molecular simulation of crystals and liquids by Angelo Gavezzotti (Professor of Physical Chemistry, Fellow of the Royal Society of Chemistry, Department of Structural Chemistry, University of Milan)

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.

Molecular Aggregation Reviews

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 *

About Angelo Gavezzotti (Professor of Physical Chemistry, Fellow of the Royal Society of Chemistry, Department of Structural Chemistry, University of Milan)

Angelo Gavezzotti Professor, Physical Chemistry, Department of Structural Chemistry, University of Milan Fellow of the Royal Society of Chemistry Laurea (degree) in Chemistry, 1968, University of Milano 1972 Lecturer in Physical and Theoretical Chemistry, University of Milano 1983 Associate Professor of Physical Chemistry, University of Milano 1987 Professor of Physical Chemistry, University of Milano 1973-74 Research term at Centre Europeen de Calcul Atomique et Moleculaire, Orsay (Paris); 1977-78 Research term at the Department of Chemistry, University of Michigan (with L.S.Bartell) Coeditor, Acta Crystallographica (1988-1991) Author or coauthor of about 120 full papers in properly refereed journals or books with international editorship (mean of 2.2 authors per publication) Author of widely disseminated computer program packages Invited speaker at congresses, meetings, or for lectures and seminars in Universities and Chemical Companies worldwide Fellow of the Royal Society of Chemistry (2005)

Table of Contents

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?

Additional information

NPB9780198570806
9780198570806
0198570805
Molecular Aggregation: Structure analysis and molecular simulation of crystals and liquids by Angelo Gavezzotti (Professor of Physical Chemistry, Fellow of the Royal Society of Chemistry, Department of Structural Chemistry, University of Milan)
Angelo Gavezzotti (Professor of Physical Chemistry, Fellow of the Royal Society of Chemistry, Department of Structural Chemistry, University of Milan)
International Union of Crystallography Monographs on Crystallography
New
Hardback
Oxford University Press
2006-11-30
442
Winner of Winner of the 2007 Trueblood Award of the American Crystallographic Association.
Book picture is for illustrative purposes only, actual binding, cover or edition may vary.
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