Molecular Aggregation : Structure analysis and molecular simulation of crystals and liquids PDF
by Angelo Gavezzotti
Part of the International Union of Crystallography Monographs on Crystallography series
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Description
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 theessential 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 thelinks between energies, structures, and chemical or physical properties.
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Download Now
- Format:PDF
- Publisher:OUP/International Union of Crystallography
- Publication Date:30/11/2006
- Category:
- ISBN:9780191524776
Information
-
Download Now
- Format:PDF
- Publisher:OUP/International Union of Crystallography
- Publication Date:30/11/2006
- Category:
- ISBN:9780191524776