• Computational Studies of Five Macromolecular Systems 

    Emamian, Somayeh (University of Missouri--Columbia, 2015)
    C-alkylpyrogallol[4]arenes have been studied by DFT computations and the results compared to experimental observations. Local minima of different conformers were located by geometry optimization of the trial structures ...
  • Light-activated biomacromolecules 

    Jain, Piyush K., 1985- (2013 sprin)
    Biomacromolecules, mainly nucleic acids and proteins, are involved in every cellular process and therefore their aberrant level or function is linked with most of the diseases. Controlling these macromolecules using light ...
  • Probing supramolecular assemblies via fluorescent reporter molecules 

    Bassil, Daniel Boutros, 1977- (University of Missouri--Columbia, 2007)
    Supramolecular, self-assembled nanocapsules have shown the capability to encapsulate organic guests. Since most of the work was done previously in the solid state, the novelty of this research was its focus on probing ...
  • Theoretical prediction of spectral and optical properties of bacteriochlorophylls in thermally disordered LH2 antenna complexes 

    Janosi, Lorant, 1979-; Kosztin, Ioan; Damjanovic, Ana (American Institute of Physics, 2006-07)
    A general approach for calculating spectral and optical properties of pigment-protein complexes of known atomic structure is presented. The method, that combines molecular dynamics simulations, quantum chemistry calculations, ...