نتایج جستجو برای: exafs
تعداد نتایج: 1685 فیلتر نتایج به سال:
Extended x-ray absorption fine structure (EXAFS) measurements have demonstrated the phase transformation from body-centered-cubic (bcc) to hexagonal-close-packed (hcp) iron due to nanosecond, laser-generated shocks. The EXAFS spectra are also used to determine the compression and temperature in the shocked iron, which are consistent with hydrodynamic simulations and with the compression inferre...
From EXAFS spectra of As and As2O3 vapors and arsine gas AsH3 the ab initio calculated structural signal is removed. The remainders comprise small absorption edges due to shake-up channels involving electrons from 3d or 3p subshell. With enhanced resolution, the edges reveal a fine splitting and a varying contribution of resonance channels, due to individual molecular energy-level structure of ...
A new set of ionic radii in aqueous solution has been derived for lanthanoid(III) cations starting from a very accurate experimental determination of the ion-water distances obtained from extended X-ray absorption fine structure (EXAFS) data. At variance with previous results, a very regular trend has been obtained, as expected for this series of elements. A general procedure to compute ionic r...
We report the first quantitative measurement of extended x-ray absorption fine structure (EXAFS) from hydrogen atoms. A single oscillation is observed from gaseous water consistent with the location of the covalently bonded hydrogen in H 2O. The experimental phase and amplitude of the oscillation are in excellent agreement with curved wave multiple scattering calculations for isolated water mol...
A new method to prepare solid state chlorometallates by reductive dechlorination of solvated niobium pentachloride with vaporisation of nominally free atoms of samanum is described. Products were prepared in an original set-up by evaporation of samarium into a mixed toluene solution of NbCl,, at 180 K. The local order around the Nb atoms was probed by EXAFS spectroscopy at the Nb K edge, using ...
Neutron diffraction and EXAFS experiments have been made on fluoride glasses "PbMnFeF.," and "Pb^MnFeFg" to provide informations about the magnetic short range order of pairs M-M (M = Mn"", Fe3) and the local environment of Mn and Fe3. The magnetic correlation function shows in both glasses prevailing strong antiferromagnetic first neighbour interaction at 3.6 A and two ferromagnetic interactio...
Related Articles EXAFS Debye-Waller factors issued from Car-Parrinello molecular dynamics: Application to the fit of oxaliplatin and derivatives JCP: BioChem. Phys. 7, 02B612 (2013) Communication: Influence of graphene interlayers on the interaction between cobalt phthalocyanine and Ni(111) J. Chem. Phys. 138, 081101 (2013) EXAFS Debye-Waller factors issued from Car-Parrinello molecular dynamic...
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