Počet záznamů: 1
Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations
SYS 0347778 LBL 02350^^^^^2200385^^^450 005 20240103193923.0 014 $a 000281352300043 $2 WOS 017 $a 10.1039/c002656e $2 DOI 100 $a 20110204d m y slo 03 ba 101 0-
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$a Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations 215 $a 18 s. 300 $a MSM6198959216, PrF_2010_025 463 -1
$1 001 cav_un_epca*0254721 $1 011 $a 1463-9076 $e 1463-9084 $1 200 1 $a Physical Chemistry Chemical Physics $v Roč. 12, č. 35 (2010), s. 10476-10493 $1 210 $c Royal Society of Chemistry 610 0-
$a amber empirical potential 610 0-
$a DFT-SAPT 610 0-
$a compensation of errors 700 -1
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$3 cav_un_auth*0103945 $a Šponer $b Jiří $i Oddělení struktury a dynamiky nukleových kyselin $j Department of Structure and Dynamics of Nucleic Acids $l DSDNA $p BFU-R $w Department of Structure and Dynamics of Nucleic Acids $4 070 $T Biofyzikální ústav AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0066266 $a Hobza $b P. $y CZ $4 070 701 -1
$3 cav_un_auth*0227161 $a Jurečka $b P. $y CZ $4 070
Počet záznamů: 1