Počet záznamů: 1
The semiempirical quantum chemical PM6 method augmented by dispersion and H-bonding correction terms describes reliably various types of non-covalent complexes
SYS 0327894 LBL 01772^^^^^2200325^^^450 005 20240103191923.7 014 $a 000268232500005 $2 WOS 017 $a 10.1021/ct9000922 $2 DOI 100 $a 20100311d m y slo 03 ba 101 0-
$a eng $d eng 102 $a US 200 1-
$a The semiempirical quantum chemical PM6 method augmented by dispersion and H-bonding correction terms describes reliably various types of non-covalent complexes 215 $a 12 s. 300 $a MSM6198959216 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. 5, č. 7 (2009), s. 1749-1760 $1 210 $c American Chemical Society 610 0-
$a hydrogen bonding 610 0-
$a dispersion 700 -1
$3 cav_un_auth*0233069 $a Řezáč $b Jan $p UOCHB-X $w Molecular modeling and spectroscopy in chemistry and biology $4 070 $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0202206 $a Fanfrlík $b Jindřich $p UOCHB-X $w Molecular modeling and spectroscopy in chemistry and biology $4 070 $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0253233 $a Salahub $b D. $y CA $4 070 701 -1
$3 cav_un_auth*0107587 $a Hobza $b Pavel $p UOCHB-X $w Molecular modeling and spectroscopy in chemistry and biology $z G $4 070 $T Ústav organické chemie a biochemie AV ČR, v. v. i.
Počet záznamů: 1