Quantum Simulations of Materials and Biological Systems

Quantum Simulations of Materials and Biological Systems

AngličtinaMäkká väzbaTlač na objednávku
Springer
EAN: 9789400794122
Tlač na objednávku
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Podrobné informácie

Quantum Simulations of Materials and Biological Systems features contributions from leading world experts in the fields of density functional theory (DFT) and its applications to material and biological systems.

The recent developments of correlation functionals, implementations of Time-dependent algorithm into DFTB+ method are presented. The applications of DFT method to large materials and biological systems such as understanding of optical and electronic properties of nanoparticles, X-ray structure refinement of proteins, the catalytic process of enzymes and photochemistry of phytochromes are detailed. In addition, the book reviews the recent developments of methods for protein design and engineering, as well as ligand-based drug design. Some insightful information about the 2011 International Symposium on Computational Sciences is also provided.

Quantum Simulations of Materials and Biological Systems is aimed at faculties and researchers in the fields of computational physics, chemistry and biology, as well as at the biotech and pharmaceutical industries. 

EAN 9789400794122
ISBN 9400794126
Typ produktu Mäkká väzba
Vydavateľ Springer
Dátum vydania 9. augusta 2014
Stránky 198
Jazyk English
Rozmery 235 x 155
Krajina Netherlands
Čitatelia Professional & Scholarly
Ilustrácie X, 198 p.
Editori Treutlein, Herbert; Zeng Jun; Zhang Rui-Qin
Edícia 2012 ed.