Počet záznamů: 1
What is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H2O)n (n = 1-10)
SYS 0370018 LBL 02707^^^^^2200361^^^450 005 20240103200126.7 014 $a 000297361200020 $2 WOS 017 $a 10.1007/s00214-011-0989-6 $2 DOI 100 $a 20111229d m y slo 03 ba 101 0-
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$a What is the best density functional to describe water clusters: evaluation of widely used density functionals with various basis sets for (H2O)n (n = 1-10) 215 $a 12 s. 463 -1
$1 001 cav_un_epca*0255218 $1 011 $a 1432-881X $e 1432-2234 $1 200 1 $a Theoretical Chemistry Accounts $v Roč. 130, 2/3 (2011), s. 341-352 610 0-
$a water cluster 610 0-
$a density functional theory 610 0-
$a MP2 . CCSD(T) 610 0-
$a basis set 610 0-
$a relative energies 700 -1
$3 cav_un_auth*0256503 $a Li $b F. $y US $4 070 701 -1
$3 cav_un_auth*0227338 $a Wang $b L. $y CN $4 070 701 -1
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$3 cav_un_auth*0277731 $a Xie $b J. R. H. $y CN $4 070 701 -1
$3 cav_un_auth*0234661 $a Riley $b Kevin Eugene $i Nekovalentní interakce $j Non-Covalent Interactions $k 610/61 $l 610/61 $p UOCHB-X $z G $4 070 $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0071228 $a Chen $b Z. $y US $4 070
Počet záznamů: 1