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Electronic structure and properties of MAu and MOH, where M = Tl and Nh: New data
Title Electronic structure and properties of MAu and MOH, where M = Tl and Nh: New data Author info V. Pershina, M. Iliaš Author Pershina Valeria (1%)
Co-authors Iliaš Miroslav 1975- (99%) UMBFP08 - Katedra chémie
Source document Chemical physics letters. Vol. 694 (2018), pp. 107-111. - Amsterdam : Elsevier B.V., 2018 Keywords elektrónová štruktúra elektrónové vlastnosti reaktivita - reaktivity volatilita Language English Country Netherlands systematics 54 Annotation Properties of the MAu and MOH (M = Tl and element 113, Nh) molecules were calculated using the 2c- DFT method. The obtained data are needed for evaluation of reactivity of Nh studied by gas-phase chromatography experiments. Results show that Nh should be less reactive (or more volatile) than Tl, both with respect to gold and the hydroxyl group. The reason for that are strong relativistic effects on the valence 7s and 7p electron shells. In difference to the atoms, NhOH may be less volatile than TlOH due to its larger both dipole moment and anisotropic polarizability URL Link na plný text Public work category ADC No. of Archival Copy 42181 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
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