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G. B. Sukharina A. V. Soldatov A. N. Kravtsova L. N. Mazalov S. V. Trubina S. B. Erenburg N. V. Bausk N. A. Kryuchkova 《Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques》2009,3(3):457-459
The Ni((C2H5O)2PS2)2 complex has been investigated using the X-ray absorption near edge structure (XANES) analysis. Nickel K-edge XANES spectra of the complex have been measured and theoretical calculations of the spectra have been carried out using the finite difference method; the calculation of molecular potential has been carried out both in the full potential and in the muffin-tin approximation. The analysis of results obtained has shown that a good agreement between theoretical and experimental spectra in the low-energy region is achieved only in the case of full potential calculations (beyond the muffin-tin approximation for the potential shape). 相似文献
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Srabionyan V. V. Sukharina G. B. Kaptelinin S. Yu. Durymanov V. A. Ermakova A. M. Kurzina T. I. Avakyan L. A. Bugaev L. A. 《Physics of the Solid State》2020,62(7):1222-1227
Physics of the Solid State - The effect of temperature conditions on the formation of copper active sites obtained by solid state ion exchange between copper chloride and H-mordenite zeolite using... 相似文献
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Pryadchenko V. V. Sukharina G. B. Ermakova A. M. Bazovaya S. V. Kurzina T. I. Durymanov V. A. Tolstopyatenko V. A. Srabionyan V. V. Avakyan L. A. Bugaev L. A. 《Technical Physics》2021,66(9):1018-1024
Technical Physics - The influence of temperature conditions for synthesis on the nearest-neighbor environment of copper atoms in copper–mordenite zeolites produced by solid-phase ion exchange... 相似文献
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A. V. Soldatov A. N. Kravtsova L. N. Mazalov S. V. Trubina N. A. Kryuchkova G. B. Sukharina 《Journal of Structural Chemistry》2007,48(6):1061-1065
The NiK edge X-ray absorption near edge spectra (XANES) of the Ni(EtOCS2)2 complex were measured. The theoretical NiK edge XANES spectra were calculated by the total multiple scattering and finite difference methods; the potential was calculated with a muffin-tin approximation and without it. It is shown that inclusion of the non-muffin-tin effects is important for modeling the NiK XANES spectrum for the Ni(EtOCS2)2 complex; good agreement with experiment was achieved only in the calculations with the total potential (without the muffin-tin approximation for the shape of the potential). 相似文献
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