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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Quantum Simulations of Materials and Biological Systems (Paperback, 2012 ed.)
Loot Price: R2,763
Discovery Miles 27 630
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Quantum Simulations of Materials and Biological Systems (Paperback, 2012 ed.)
Expected to ship within 10 - 15 working days
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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.
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