Ab initio study of small coinage metal telluride clusters AunTem (n, m = 1, 2)
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Q. Rong
,
F. Liu
Abstract
The geometries of the most stable isomers of gold telluride systems AuTe, Au2Te, and AuTe2 are determined using the MP2 method. The aspect of gold—telluride interaction, the electron correlation, and relativistic effects on geometry and stability are investigated at the MP2 and CCSD(T) theoretical levels. The results show that the electron correlation and relativistic effects are responsible not only for gold—gold attraction but also for additional gold—telluride interaction. The gold—telluride interaction is strong enough to modify the known pattern of bare gold clusters. Both effects are essential for determining the geometry and relative stability of this type of systems.
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© 2007 Institute of Chemistry, Slovak Academy of Sciences
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Artikel in diesem Heft
- Step by step towards understanding gold glyconanoparticles as elements of the nanoworld
- Structure—activity relationships for in vitro oxime reactivation of chlorpyrifos-inhibited acetylcholinesterase
- Separation and characterization of products from thermal cracking of individual and mixed polyalkenes
- Mobility of important toxic analytes in urban dust and simulated air filters determined by sequential extraction and GFAAS/ICP-OES methods
- Effect of addition of ameliorative materials on the distribution of As, Cd, Pb, and Zn in extractable soil fractions
- Effect of gamma irradiation on trichromatic values of spices
- Homo- and heteronuclear complexes of a new, vicinal dioxime ligand
- Synthesis of new triphenodithiazine- and indolocarbazolediones of biological interest
- Dielectric relaxation of butyl acrylate—alcohol mixtures using time domain reflectometry
- Ab initio study of small coinage metal telluride clusters AunTem (n, m = 1, 2)
- Binding affinities and spectra of complexes formed by dehydrotetrapyrido[20]annulene and small molecules
- Comparison of spectrophotometric and HPLC methods for determination of lipid peroxidation products in rat brain tissues
- Enantioselective extraction of mandelic acid enantiomers by L-dipentyl tartrate and β-cyclodextrin as binary chiral selectors
- Mechanism of thermal decomposition of cobalt acetate tetrahydrate
- Three-component, one-pot synthesis of 3,4-dihydropyrimidin-2-(1H)-ones catalyzed by bromodimethylsulfonium bromide
