Téléchargez le livre : Molecular Materials with Specific Interactions - Modeling and Design

Molecular Materials with Specific Interactions - Modeling and Design

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Éditeur :

Springer


Collection :

Challenges and Advances in Computational Chemistry and Physics

Paru le : 2007-05-06

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Description
"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.
Pages
597 pages
Collection
Challenges and Advances in Computational Chemistry and Physics
Parution
2007-05-06
Marque
Springer
EAN papier
9781402053719
EAN PDF
9781402053726
Informations sur l'ebook
Nombre pages copiables
5
Nombre pages imprimables
59
Taille du fichier
11510 Ko
Prix
142,93 €

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