• APPLICATION OF AB INITIO CALCULATIONS TO COLLAGEN AND BROME MOSAIC VIRUS 

    Eifler, Jay Quinson (2014-07-17)
    In bio-related research, large proteins are of important interest. We study two such proteins. Collagen contains one such protein, the collagen triple-helix, which forms part of the structural matrix for animals, such as ...
  • Electronic structure and optical properties of layered ternary transition-metal carbides and nitrides 

    Mo, Yuxiang, 1986- (University of Missouri--Kansas City, 2011-05-20)
    The electronic structure and optical properties of Ti3AC2 (A=Al, Si, Ge), Ti2AC (A=Al, Ga, In; Si, Ge, Sn; P, As; S), Ti2AlN, M2AlC (M=V, Nb, Cr) and Tan+1AlCn (n=1~4) have been studied using first-principles orthogonalized ...
  • Electronic Stucture of Elemental Boron 

    Wang, Liaoyuan (University of Missouri--Kansas City, 2010-12-15)
    Boron has complex structures in its crystalline forms that lead to a variety of properties. The primary phases of elemental boron are α-B12, t-B50, γ-B28, and β-B106 and are the focus of this thesis. As a preliminary ...