Počet záznamov: 1
Electronic structure and properties of MAu and MOH, where M = Tl and Nh: New data
Názov Electronic structure and properties of MAu and MOH, where M = Tl and Nh: New data Aut.údaje V. Pershina, M. Iliaš Autor Pershina Valeria (1%)
Spoluautori Iliaš Miroslav 1975- (99%) UMBFP08 - Katedra chémie
Zdroj.dok. Chemical physics letters. Vol. 694 (2018), pp. 107-111. - Amsterdam : Elsevier B.V., 2018 Kľúč.slová elektrónová štruktúra elektrónové vlastnosti reaktivita - reaktivity volatilita Jazyk dok. angličtina Krajina Holandsko Systematika 54 Anotácia 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 Kategória publikačnej činnosti ADC Číslo archívnej kópie 42181 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika 
nerozpoznaný
Počet záznamov: 1