Počet záznamov: 1
Carbonyl compounds of Rh, Ir, and Mt: electronic structure, bonding and volatility
SYS 0287393 LBL 01544^^^^^2200229^^^450 005 20240509110811.2 014 $a 000565157900041 $2 CCC 014 $a 000565157900041 $2 WOS CC. SCIE 014 $a 2-s2.0-85091629864 $2 SCOPUS 017 70
$a 10.1039/D0CP02118K $2 DOI 035 $a biblio/205988 $2 CREPC2 100 $a 20200910d2020 m y slo 03 ba 101 0-
$a eng 102 $a GB 200 1-
$a Carbonyl compounds of Rh, Ir, and Mt: electronic structure, bonding and volatility $f Miroslav Iliaš, Valeria Pershina 330 0-
$a With the aim to render assistance to future experiments on the production and investigation of chemical properties of carbonyl compounds of element 109, Mt, calculations of the molecular properties of M(CO)4 and MH(CO)4, where M = Rh, Ir, and Mt, and of the products of their decomposition, M(CO)3 and MH(CO)3, were performed using relativistic Density Functional Theory and Coupled-Cluster methods implemented in the ADF, ReSpect and DIRAC software suites 463 -1
$1 001 umb_un_cat*0287665 $1 200 1 $a Physical Chemistry Chemical Physics $d PCCP $v Vol. 22, no. 33 (2020), pp. 18681-18694 $1 210 $a London $c The Royal Society of Chemistry $d 2020 $1 011 $a 1463-9076 $1 011 $a 1463-9084 606 0-
$3 umb_un_auth*0221673 $a kvantovo-chemické výpočty 606 0-
$3 umb_un_auth*0180318 $a relativistické efekty 608 $3 umb_un_auth*0273282 $a články $X journal articles 700 -1
$3 umb_un_auth*0173565 $a Iliaš $b Miroslav $p UMBFP08 $4 070 $9 85 $f 1975- $T Katedra chémie 701 -1
$3 umb_un_auth*0235039 $a Pershina $b Valeria $4 070 $9 15 801 $a SK $b BB301 $g AACR2 $9 unimarc sk 856 $u https://pubs.rsc.org/en/content/articlelanding/2020/cp/d0cp02118k#!divAbstract $a Link na zdrojový dokument T85 $x existuji fulltexy
Počet záznamov: 1