株式会社極東書店トップ商品一覧Molecular Aggregation: Structure analysis and molecular simulation of crystals and liquids.

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Molecular Aggregation: Structure analysis and molecular simulation of crystals and liquids.

Molecular Aggregation: Structure analysis and molecular simulation of crystals and liquids.

・ISBN 978-0-19-857080-6 hard GB£ 140.00

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お気に入り
電子版あり 大学・学術機関向け電子ブック(eBook)ISBN 9780191718779
著者・編者Gavezzotti, Angelo,
シリーズ (International Union of Crystallography Monographs on Crystallography 19)
出版社 (Oxford University Press, UK)
出版年月2006
ページ数442 pp.
言語ENG
ニュース番号<A00-63438>

解説

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.