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Challenges and Advances in Computational Chemistry and Physics

Molecular Materials with Specific Interactions - Modeling and Design

Editors: Sokalski, W. Andrzej (Ed.)

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eBook $219.00
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  • ISBN 978-1-4020-5372-6
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Hardcover $279.00
price for USA
  • ISBN 978-1-4020-5371-9
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  • This title is currently reprinting. You can pre-order your copy now.
Softcover $279.00
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  • ISBN 978-90-481-7353-2
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About this book

"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.

Table of contents (2 chapters)

  • Selected Microscopic and Mezoscopic Modelling Tools and Models – an Overview

    Magdalena Gruziel, Piotr Kmieć, Joanna Trylska, et al.

    Pages 203-223

  • Recent Advances in Fullerene Deposition on Semiconductor Surfaces

    C. G. Zhou, L. C. Ning, J. P. Wu, et al.

    Pages 533-563

Buy this book

eBook $219.00
price for USA (gross)
  • ISBN 978-1-4020-5372-6
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $279.00
price for USA
  • ISBN 978-1-4020-5371-9
  • Free shipping for individuals worldwide
  • This title is currently reprinting. You can pre-order your copy now.
Softcover $279.00
price for USA
  • ISBN 978-90-481-7353-2
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Molecular Materials with Specific Interactions - Modeling and Design
Editors
  • W. Andrzej Sokalski
Series Title
Challenges and Advances in Computational Chemistry and Physics
Series Volume
4
Copyright
2007
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media B.V.
eBook ISBN
978-1-4020-5372-6
DOI
10.1007/1-4020-5372-X
Hardcover ISBN
978-1-4020-5371-9
Softcover ISBN
978-90-481-7353-2
Series ISSN
2542-4491
Edition Number
1
Number of Pages
IX, 597
Topics