caa a22 4500 463239210 CHVBK 20180405153307.0 cr unu---uuuuu 170326e20071101xx s 000 0 eng 10.1007/s10947-007-0171-0 doi (NATIONALLICENCE)springer-10.1007/s10947-007-0171-0 Analysis of the fine structure of XANES spectra over Ni K edge in Ni(EtOCS2)2 [Elektronische Daten] [A. Soldatov, A. Kravtsova, L. Mazalov, S. Trubina, N. Kryuchkova, G. Sukharina] 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). Springer Science+Business Media, Inc., 2007 Ni(EtOCS2)2 complex nationallicence XANES nationallicence muffin-tin approximation nationallicence Soldatov A. South Federal University, Rostov-on-Don aut Kravtsova A. South Federal University, Rostov-on-Don aut Mazalov L. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut Trubina S. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut Kryuchkova N. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut Sukharina G. South Federal University, Rostov-on-Don aut Journal of Structural Chemistry Springer US 48/6(2007-11-01), 1061-1065 0022-4766 48:6<1061 2007 48 10947 https://doi.org/10.1007/s10947-007-0171-0 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10947-007-0171-0 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Soldatov A. South Federal University, Rostov-on-Don aut NATIONALLICENCE 700 1- Kravtsova A. South Federal University, Rostov-on-Don aut NATIONALLICENCE 700 1- Mazalov L. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Trubina S. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Kryuchkova N. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Sukharina G. South Federal University, Rostov-on-Don aut NATIONALLICENCE 773 0- Journal of Structural Chemistry Springer US 48/6(2007-11-01), 1061-1065 0022-4766 48:6<1061 2007 48 10947 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer