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The calculation of intermolecular interaction energies
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$a The calculation of intermolecular interaction energies 215 $a 21 s. 300 $a MSM6198959216 463 -1
$1 001 cav_un_epca*0360720 $1 011 $a 0260-1826 $1 200 1 $a Annual Reports on the Progress of Chemistry C: Physical Chemistry $v Roč. 107, - (2011), s. 148-168 610 0-
$a interaction energy 610 0-
$a benchmark data 610 0-
$a CCSD(T)/complete basis set 700 -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 $T Ústav organické chemie a biochemie AV ČR, v. v. i.
Number of the records: 1