Počet záznamů: 1
Parallelized implementation of the CCSD(T) method in molcas using optimized virtual orbitals space and Cholesky decomposed two-electron integrals
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$a 10.1135/cccc2011048 $2 DOI 100 $a 20120222d m y slo 03 ba 101 0-
$a eng $d eng 102 $a CZ 200 1-
$a Parallelized implementation of the CCSD(T) method in molcas using optimized virtual orbitals space and Cholesky decomposed two-electron integrals 215 $a 29 s. 300 $a MSM6198959216 463 -1
$1 001 cav_un_epca*0256425 $1 011 $a 0010-0765 $1 200 1 $a Collection of Czechoslovak Chemical Communications $v Roč. 76, č. 6 (2011), s. 713-742 $1 210 $c Ústav organické chemie a biochemie AV ČR, v. v. i. 610 0-
$a cholesky decomposition 610 0-
$a parallelization 610 0-
$a noncovalent interaction 700 -1
$3 cav_un_auth*0234758 $a Pitoňák $b Michal $i Nekovalentní interakce $j Non-Covalent Interactions $k 610/61 $l 610/61 $p UOCHB-X $4 070 $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
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$3 cav_un_auth*0107587 $a Hobza $b Pavel $i Nekovalentní interakce $j Non-Covalent Interactions $k 610/61 $l 610/61 $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. 701 -1
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Počet záznamů: 1