Overview
- Design of new molecular materials is emerging as a new interdisciplinary research field and corresponding reports are scattered in literature, this book constitutes one of the first attempts to overview ongoing research efforts
- All of the Authors are renowned experts in their fields and many topics covered in this volume represent the forefront of today's science
- Has a very interdisciplinary character
- Includes supplementary material: sn.pub/extras
Part of the book series: Challenges and Advances in Computational Chemistry and Physics (COCH, volume 4)
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Table of contents (16 chapters)
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Front Matter
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Back Matter
Keywords
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.
Editors and Affiliations
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
DOI: https://doi.org/10.1007/1-4020-5372-X
Publisher: Springer Dordrecht
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer Science+Business Media B.V. 2007
Hardcover ISBN: 978-1-4020-5371-9Published: 26 March 2007
Softcover ISBN: 978-90-481-7353-2Published: 11 November 2010
eBook ISBN: 978-1-4020-5372-6Published: 06 May 2007
Series ISSN: 2542-4491
Series E-ISSN: 2542-4483
Edition Number: 1
Number of Pages: IX, 597
Topics: Atomic, Molecular, Optical and Plasma Physics, Materials Science, general, Computer Applications in Chemistry, Analytical Chemistry, Nanotechnology