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Electric field gradient study on pure and Cd-doped In(111) surfaces: Correlation between experiments at the atomic scale and first-principles calculations
(American Physical Society, 2019-05-20)
We present a complete all-electron density functional theory/ab initio study of structural and electronic properties at pure In(111) and Cd-doped In(111) surfaces, enabling a deep analysis of the electric field gradient ...
Mechanisms of reduction in V2O5 and MoO3 studied by PAC spectroscopy
(Tata Institute of Fundamental Research, 2020)
Thermal behaviour of hafnium diethylenetriaminepentaacetate studied using the Perturbed Angular Correlation Technique
(Oldenbourg Verlag, 2014-03)
Polyaminecarboxilic ligands like diethylenetriaminepentaacetic acid form stable complexes with many heavy metal ions, excelling as cation chelants especially in the field of radiopharmacy. The aim of this work is to ...
Metal coordination study at Ag and Cd sites in Crown Thioether complexes through DFT calculations and hyperfine parameters
(Springer, 2015-04)
Structural and electronic properties of [C12H24S6X], [C13H26S6OX], and [C14H28S6OX] (X: Ag+ , Cd2+) crown thioether complexes were investigated within the framework of the density functional theory (DFT) using the ...