Article ID Journal Published Year Pages File Type
1883862 Radiation Physics and Chemistry 2006 4 Pages PDF
Abstract
Metallothioneins are the proteins containing seven Cd atoms in tetrahedral arrangement of S atoms. For this compound full multiple scattering XAFS calculations have been used as a tool for verification of structural models generated using molecular dynamic. To determine the sensitivity of the spectrum to different structural parameters and to check does the best-fit XANES spectrum correspond to the correct structure of the complex we have tested method for Cd(SPh)4 model compound.
Related Topics
Physical Sciences and Engineering Physics and Astronomy Radiation
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