Počet záznamov: 1
Electronic structure and properties of MAu and MOH, where M = Tl and Nh: New data
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$a 10.1016/j.cplett.2018.01.045 $2 DOI 035 $a biblio/75500 $2 CREPC2 100 $a 20180316d2018 m y slo 03 ba 101 0-
$a eng 102 $a NL 200 1-
$a Electronic structure and properties of MAu and MOH, where M = Tl and Nh: New data $f V. Pershina, M. Iliaš 330 0-
$a 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 463 -1
$1 001 umb_un_cat*0288334 $1 011 $a 0009-2614 $1 200 1 $a Chemical physics letters $v Vol. 694 (2018), pp. 107-111 $1 210 $a Amsterdam $c Elsevier B.V. $d 2018 606 0-
$3 umb_un_auth*0266515 $a elektrónová štruktúra 606 0-
$3 umb_un_auth*0266516 $a elektrónové vlastnosti 606 0-
$3 umb_un_auth*0266517 $a reaktivita $X reaktivity 606 0-
$3 umb_un_auth*0096061 $a volatilita 615 $n 54 $a Chémia 675 $a 54 700 -1
$3 umb_un_auth*0235039 $a Pershina $b Valeria $4 070 $9 1 701 -1
$3 umb_un_auth*0173565 $a Iliaš $b Miroslav $p UMBFP08 $4 070 $9 99 $f 1975- $T Katedra chémie 801 $a SK $b BB301 $g AACR2 $9 unimarc sk 856 $u https://www.sciencedirect.com/science/article/pii/S0009261418300538#! $a Link na plný text T85 $x existuji fulltexy
Počet záznamov: 1