Title of article
Ab initio study of element 113–gold interactions
Author/Authors
Zaitsevskii، نويسنده , , Andréi and Titov، نويسنده , , Anatoly V. and Rusakov، نويسنده , , Alexander A. and van Wüllen، نويسنده , , Christoph، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2011
Pages
3
From page
329
To page
331
Abstract
A comparative study of the interactions of element 113 and its lighter homologue Tl with gold is presented. The analysis is based on electronic structure calculations on small E113Aun (TlAun) complexes combining highly accurate ab initio electron correlation treatment and the estimation of magnetic effects at the two-component relativistic density functional theory level. Implications for the modeling of the adsorption of E113 on gold surface are discussed.
Journal title
Chemical Physics Letters
Serial Year
2011
Journal title
Chemical Physics Letters
Record number
1931394
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