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Molecular Materials with Specific Interactions - Modeling and Design by W. Andrzej Sokalski

Molecular Materials with Specific Interactions - Modeling and Design

by W. Andrzej Sokalski
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Book cover type: Paperback
  • ISBN13: 9789048173532
  • Binding: Paperback
  • Subject: N/A
  • Publisher: Springer
  • Publisher Imprint: Springer
  • Publication Date:
  • Pages: 597
  • Original Price: EUR 149.99
  • Language: English
  • Edition: N/A
  • Item Weight: 812 grams
  • BISAC Subject(s): Chemistry / Physical & Theoretical, Materials Science / General, and Chemistry / Analytic

From the Back Cover

"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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