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Description of Non-Covalent Interactions in SCC-DFTB Methods
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$a Description of Non-Covalent Interactions in SCC-DFTB Methods 215 $a 10 s. 463 -1
$1 001 cav_un_epca*0256935 $1 011 $a 0192-8651 $e 1096-987X $1 200 1 $a Journal of Computational Chemistry $v Roč. 38, č. 10 (2017), s. 688-697 $1 210 $c Wiley 610 $a density functional tight binding 610 $a DFTB3 610 $a non-covalent interactions 610 $a dispersion correction 610 $a hydrogen bonding correction 700 -1
$3 cav_un_auth*0347031 $i Nekovalentní interakce $j Non-Covalent Interactions $k 610/61 $l 610/61 $w Molecular modeling and spectroscopy in chemistry and biology $4 070 $a Miriyala $b Vijay Madhav $p UOCHB-X $y IN $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0233069 $i Nekovalentní interakce $j Non-Covalent Interactions $k 610/61 $l 610/61 $w Molecular modeling and spectroscopy in chemistry and biology $4 070 $a Řezáč $b Jan $p UOCHB-X $z K $T Ústav organické chemie a biochemie AV ČR, v. v. i.
Number of the records: 1