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.
General
Imprint: |
Springer-Verlag New York
|
Country of origin: |
United States |
Series: |
Challenges and Advances in Computational Chemistry and Physics, 4 |
Release date: |
March 2007 |
First published: |
2007 |
Editors: |
W. Andrzej Sokalski
|
Dimensions: |
235 x 155 x 28mm (L x W x T) |
Format: |
Hardcover
|
Pages: |
597 |
Edition: |
2007 ed. |
ISBN-13: |
978-1-4020-5371-9 |
Categories: |
Books >
Science & Mathematics >
Physics >
Atomic & molecular physics
|
LSN: |
1-4020-5371-1 |
Barcode: |
9781402053719 |
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