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  • Quantum simulations of materials and biological systems [Elektronski vir]
    International Symposium on Computational Sciences (1st ; 2011 ; Shanghai, China)
    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 a
    Type of material - e-book
    Publication and manufacture - Dordrecht ; New York : Springer, ©2012
    Language - english
    ISBN - 978-94-007-4948-1; 94-007-4948-1
    COBISS.SI-ID - 1545314015

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