Molecular aggregation structure analysis and molecular simulation of crystals and liquids

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...

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书目详细资料
主要作者: Gavezzott, Angelo
其他作者: Angelo Gavezzott
语言:Undetermined
English
出版: Oxford,New York Oxford University Press 2007
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Thư viện lưu trữ: Trung tâm Học liệu Trường Đại học Trà Vinh
实物特征
总结: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
实物描述:425 p.
ill.
24 cm
ISBN:0198570805
9780198570806