The x-ray absorption near-edge spectra (XANES) and fluorescence spectra of molecules in the ground state and optically excited states are computed using time-dependent density functional theory and time-dependent Hartree-Fock theory. The calculated XANES spectra of optically excited methanol, benzonitrile, hydrogen sulphide, and titanium tetrachloride and the fluorescence spectra of optically e...

a simple and green synthetic strategy to prepare bao/tio2-zro2 as a solid base catalyst was reported. these materials with various amounts of bao were prepared by the adsorption method. the physical and chemical properties of bao/tio2-zro2 were investigated by x-ray diffraction, x-ray fluorescence, specific surface area and bjh pore size distribution, ft-ir spectroscopy, scanning electron micro...

A simple and green synthetic strategy to prepare BaO/TiO2-ZrO2 as a solid base catalyst was reported. These materials with various amounts of BaO were prepared by the adsorption method. The physical and chemical properties of BaO/TiO2-ZrO2 were investigated by X-ray diffraction, X-ray fluorescence, specific surface area and BJH pore size distribution, FT-IR spectroscopy, scanning electron micro...

A simple and green synthetic strategy to prepare BaO/TiO2-ZrO2 as a solid base catalyst was reported. These materials with various amounts of BaO were prepared by the adsorption method. The physical and chemical properties of BaO/TiO2-ZrO2 were investigated by X-ray diffraction, X-ray fluorescence, specific surface area and BJH pore size distribution, FT-IR spectroscopy, scanning electron micro...

Total and partial fluorescence yield (PFY) L-edge x-ray absorption spectra differ from the transmission x-ray absorption spectra (XAS) through state-dependent fluorescence yield across the XAS. For 3d to 3d in octahedral symmetry we apply simulations of PFY and XAS and show how the atomic 2p3d Coulomb exchange parameter Gpd governs the differences in the L3/(L2+L3) branching ratio between PFY a...

soil samples were collected from seven sites in and around the metropolitan area of mexicocity. the locations were chosen as possible sources of fugitive dusts which contribute to suspended particulate matter in the atmosphere of mexico city. x-ray fluorescence (xrf) was used to determine the concentrations of several major elements (si, k, ca, ti, mn, and fe), as well as of other trace element...

a new tris-chelate cd(ii) complex, [cd(dadmbtz)3](clo3)2 has been successfully synthesized and characterized by ir, 1h, 13c nmr spectroscopy, elemental analysis and single crystal x-ray determination. the thermal behavior, uv-vis and fluorescence spectra of compound were studied. in reaction with dadmbtz, cadmium (ii) forms a tris-chelate complex with nearly c3 symmetry for coordination polyhed...