Reactivity of the Superheavy Element 115, Mc, and Its Lighter Homologue, Bi, with Respect to Gold and Hydroxylated Quartz Surfaces from Periodic Relativistic DFT Calculations: A Comparison with Element 113, Nh

Pershina, Valeria Reactivity of the Superheavy Element 115, Mc, and Its Lighter Homologue, Bi, with Respect to Gold and Hydroxylated Quartz Surfaces from Periodic Relativistic DFT Calculations: A Comparison with Element 113, Nh / Valeria Pershina ... [et al.]. -- Adsorption energies (Eads) of the superheavy element (SHE) Mc, its lighterhomologue (Bi), as well as of another superheavy element Nh and some lighter homologuesof SHEs on gold and hydroxylated quartz surfaces are predicted via periodic relativisticdensity functional theory calculation.

In Inorganic Chemistry. -- Washington, DC : The American Chemical Society, 2021. -- ISSN 0020-1669. -- ISSN 1520-510X. -- Vol. 60, no. 13 (2021), pp. 9796-9804

1. adsorpcia 2. DFT metóda 3. relativistické efekty 4. články

I. Iliaš, Miroslav, 1975-
II. Yakushev, Alexander
III. Inorganic Chemistry. -- Vol. 60, no. 13 (2021), pp. 9796-9804
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