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Relativistic two-component time dependent density functional studies and Hirshfeld surface analysis of halogenated arylidenehydrazinylthiazole derivatives
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$a 10.1016/j.molstruc.2023.135692 $2 DOI 100 $a 20230529d m y slo 03 ba 101 $a eng 102 $a NL 200 1-
$a Relativistic two-component time dependent density functional studies and Hirshfeld surface analysis of halogenated arylidenehydrazinylthiazole derivatives 215 $a 13 s. 463 -1
$1 001 cav_un_epca*0257042 $1 011 $a 0022-2860 $e 1872-8014 $1 200 1 $a Journal of Molecular Structure $v Roč. 1287, SEP 2023 (2023) $1 210 $c Elsevier 608 $a Article 610 $a El-Sayed rule 610 $a Hirshfeld surface analysis (HSA) 610 $a sf-X2C-S-TD-DFT 610 $a Single crystal XRD 610 $a Spin–orbit couplings 700 -1
$3 cav_un_auth*0377195 $a Haroon $b M. $y PK $4 070 $z K $q Mirpur University of Science and Technology 701 -1
$3 cav_un_auth*0369723 $a Baig $b Mirza Wasif $p UFCH-W $i Odd. teoretické chemie $j Dept. of Theoretical Chemistry $y PK $4 070 $T Ústav fyzikální chemie Jaroslava Heyrovského AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0377196 $a Akhtar $b T. $y PK $4 070 $z K $q Mirpur University of Science and Technology 701 -1
$3 cav_un_auth*0377198 $a Tahir $b M.N. $y PK $4 070 $q University of Sargodha 701 -1
$3 cav_un_auth*0450582 $a Ashfaq $b M. $y PK $4 070 $q University of Sargodha 856 $u https://hdl.handle.net/11104/0343047 $9 RIV
Number of the records: 1