Molecular Materials with Specific Interactions - Modeling and Design

Name: Molecular Materials with Specific Interactions - Modeling and Design
Brand: Springer-Verlag New York Inc.
SKU: 9781402053719
Price: 157.37 EUR
Availability: InStock

Автор: W. Andrzej Sokalski

Език:

Корици: С твърди корици

Издател: Springer-Verlag New York Inc.

Наличност: Външен склад

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157.37 € 307.80 лв

Design of new molecular materials is emerging as a new interdisciplinary research field. Correspondi...

Информация за книгата

Автор

W. Andrzej Sokalski

Език

Английски език

Корици

Книга - С твърди корици

Издадена

2007

страници

597

EAN

9781402053719

ISBN

1402053711

Enbook ID

01416959

Издател

Springer-Verlag New York Inc.

Теглоt

1069

Размери

155 x 235 x 38

Пълно описание

Design of new molecular materials is emerging as a new interdisciplinary research field. Corresponding reports are scattered in literature, and this book constitutes one of the first attempts to overview ongoing research efforts. It provides basic information, as well as the details of theory and examples of its application, to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials."Molecular Materials with Specific Interactions: Modeling and Design" has a very interdisciplinary character and is intended to provide basic information as well as the details of theory and examples of its application to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials. §One of the first requirements to initiate the molecular modeling of molecular materials is an accurate and realistic description of the electronic structure, intermolecular interactions and chemical reactions at microscopic and macroscopic scale. Therefore the first four chapters contain an extensive introduction into the latest theories of intermolecular interactions, functional density techniques, microscopic and mezoscopic modeling techniques as well as first-principle molecular dynamics. §In the following chapters, techniques bridging microscopic and mezoscopic modeling scales are presented. The authors then illustrate various successful applications of molecular design of new materials, drugs, biocatalysts, etc. before presenting challenging topics in molecular materials design.§This book is an excellent source of information for professionals involved in research in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology. It will benefit graduates, as well as undergraduate students exposed to the above research areas.

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Molecular Materials with Specific Interactions - Modeling and Design

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