20 citations · 37 across the 10 of their papers we have counts for
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cond-mat.mtrl-sci2020★ 4 cited
Ab initio based description of the unusual temperature increase of the electric field gradient at Ti sites in rutile TiO2
A. V. Nikolaev, N. M. Chtchelkatchev, A. V. Bibikov +2
Combining a precise ab initio electron band structure calculation of the TiO2 rutile structure with the temperature evolution of the Ti mean-square displacements, we reproduce a pu…
cond-mat.mtrl-sci2020★ 2 cited
Peculiar chemical bonding between thorium and a carbon hexagon in carbon nanomaterials
A. V. Bibikov, A. V. Nikolaev, E. V. Tkalya
We explore an unusual nature of chemical bonding of the thorium atom with a ring of six carbon atoms (hexagon) in novel carbon materials. Our ab initio calculations of Th-based met…