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Redox Potentials with COSMO-RS: Systematic Benchmarking with Different Databases
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$a 10.1021/acs.jctc.2c00919 $2 DOI 100 $a 20230208d m y slo 03 ba 101 $a eng $d eng 102 $a US 200 1-
$a Redox Potentials with COSMO-RS: Systematic Benchmarking with Different Databases 215 $a 9 s. 463 -1
$1 001 cav_un_epca*0039629 $1 011 $a 1549-9618 $e 1549-9626 $1 200 1 $a Journal of Chemical Theory and Computation $v Roč. 19, č. 3 (2023), s. 1014-1022 $1 210 $c American Chemical Society 608 $a Article 610 $a solvation free energies 610 $a computational electrochemistry 610 $a reduction potentials 700 -1
$3 cav_un_auth*0444862 $a Tomaník $b L. $y CZ $q University of Chemistry and Technology, Prague 701 -1
$3 cav_un_auth*0103667 $a Rulíšek $b Lubomír $p UOCHB-X $i Teoretická bioanorganická chemie $j Theoretical Bioinorganic Chemistry $k 640/64 $l 640/64 $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0036112 $a Slavíček $b P. $y CZ $z K $q University of Chemistry and Technology, Prague 856 $u https://doi.org/10.1021/acs.jctc.2c00919 $9 RIV
Počet záznamů: 1