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    Density functional calculations, electronic structure, and optical properties of molybdenum bimetallic nitrides Pt2Mo3N and Pd2Mo3N 

    Ali Hussain, Reshak, Prof. Dr.; Auluck, S.; Kityk, I. V. (American Chemical Society, 2011-04-07)
    The electronic band structure, origin of chemical bonds, and dispersion of linear optical susceptibilities for Pt2Mo3N and Pd 2Mo3N have been investigated within the framework of density functional theory (DFT). The atomic ...

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    AuthorAli Hussain, Reshak, Prof. Dr. (1)Auluck, S. (1)Kityk, I. V. (1)SubjectAtomic positions (1)
    Bond strength (chemical) (1)
    Crystalline compounds (1)Crystallographic plane (1)Density-functional calculations (1)... View MoreDate Issued2011 (1)

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