Name: molecular materials with specific interactions - modeling and design (en Inglés)
SKU: 25167524
Price: 154.44 USD
Availability: InStock
Author: Sokalski, W. Andrzej
ISBN: 9789048173532

portada molecular materials with specific interactions - modeling and design (en Inglés)

molecular materials with specific interactions - modeling and design (en Inglés)

Formato

Libro Físico

Ilustrado por

W. Andrzej Sokalski

Editorial

Springer

Autor

Sokalski, W. Andrzej

Año

2010

Idioma

Inglés

N° páginas

597

Encuadernación

Tapa Blanda

Dimensiones

22.9x15.2x3.1 cm

Peso

0.80 kg.

ISBN

9048173531

ISBN13

9789048173532

Categorías

Química analítica
Química física
Ciencia de materiales

molecular materials with specific interactions - modeling and design (en Inglés)

W. Andrzej Sokalski (Ilustrado por) · Springer · Tapa Blanda

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Reseña del libro "molecular materials with specific interactions - modeling and design (en Inglés)"

"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.