Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1883862 | Radiation Physics and Chemistry | 2006 | 4 Pages |
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
Authors
Alexander V. Soldatov, Grigory Smolentsev, Galina Yalovega, Jayna Chan, Martin Stillman,