Počet záznamů: 1
Comparison of the DFT-SAPT and Canonical EDA Schemes for the Energy Decomposition of Various Types of Noncovalent Interactions
SYS 0492086 LBL 01000a^^22220027750^450 005 20240103220321.7 014 $a 85049862585 $2 SCOPUS 014 $a 29926727 $2 PUBMED 014 $a 000438654500007 $2 WOS 017 70
$a 10.1021/acs.jctc.8b00034 $2 DOI 100 $a 20180810d m y slo 03 ba 101 0-
$a eng $d eng 102 $a US 200 1-
$a Comparison of the DFT-SAPT and Canonical EDA Schemes for the Energy Decomposition of Various Types of Noncovalent Interactions 215 $a 11 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. 14, č. 7 (2018), s. 3440-3450 $1 210 $c American Chemical Society 608 $a Article 610 $a density functional theory 610 $a adapted perturbation theory 610 $a intermolecular interaction energies 700 -1
$3 cav_un_auth*0330518 $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 Stasyuk $b Olga A. $p UOCHB-X $y RU $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0233513 $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 Sedlák $b Robert $p UOCHB-X $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0291662 $4 070 $a Guerra $b C. F. $y NL 701 -1
$3 cav_un_auth*0107587 $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 Hobza $b Pavel $p UOCHB-X $y CZ $z K $T Ústav organické chemie a biochemie AV ČR, v. v. i.
Počet záznamů: 1