Atomic & Molecular

Molecular Aggregation: Structure Analysis and Molecular Simulation of Crystals and Liquids Iucr Monographs on Crystallography

Name: Molecular Aggregation: Structure Analysis and Molecular Simulation of Crystals and Liquids Iucr Monographs on Crystallography
Brand: OUP Oxford
SKU: 9780198570806
Price: 19665.00 INR
Availability: InStock
ISBN: 9780198570806

MOLECULAR AGGREGATION

Contributor(s): Gavezzotti, Angelo Author Format: Hardback

Hardback · ISBN 9780198570806

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Key Specifications

ISBN	9780198570806
Subtitle	MOLECULAR AGGREGATION
Publisher	OUP Oxford
Publication date	November 2006
Language	English
MRP	£140.00 GBP
Page count	442
Item weight	175 g

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: Structure Analysis and Molecular Simulation of Crystals and Liquids Iucr Monographs on Crystallography

Key Specifications

Gavezzotti, Angelo Author

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