Multiple-scattering calculations of x-ray-absorption spectra

Search for Origin of Room Temperature Ferromagnetism Properties in Ni-Doped ZnO Nanostructure

“…The energy range of XAFS was calibrated using Zn and Ni foils at 9659 and 8333 eV. The EXAFS data has been examined using FEFF 6.0 code 22 , which comprises Fourier transform with background reduction to derive the versus R spectra from the absorption spectra using ATHENA software, generation of the theoretical EXAFS spectra starting from a presumed crystallographic structure and lastly fitting of experimental data with the theoretical spectra using ARTEMIS software 23 . Room temperature fluorescence spectroscopic measurement was conducted using a spectrofluorometer having …”

Speciation and structure of tin(ii) in hyper-alkaline aqueous solution

“…29 For 55 recording the spectrum of the tin(II) containing solutions, 15 mL sample was placed in a cubic polyethylene sample holder with a tightly fitted screw-top. The analysis of the data was performed with the EXAFSPAK 30 and FEFF 31 program packages allowing the determination of the structure parameters of the local 60 coordination around tin(II).…”

Enterobactin Protonation and Iron Release: Structural Characterization of the Salicylate Coordination Shift in Ferric Enterobactin1

“…Final fits generally allowed only five unconstrained variables from a total of fourteen parameters. Photoelectron scattering amplitudes and phase shifts were calculated using the FEFF7 code 54 28 Aliquots of 0.450 mL each were retrieved after each DCl addition. 1 H NMR spectra of each aliquot were performed on a Brucker Avance AV-500 MHz equipped with a TBI probe, using a pulse angle of 90° and 128 scans per sample.…”