Počet záznamů: 1
Toward Accurate Conformational Energies of Smaller Peptides and Medium-Sized Macrocycles: MPCONF196 Benchmark Energy Data Set
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$a Toward Accurate Conformational Energies of Smaller Peptides and Medium-Sized Macrocycles: MPCONF196 Benchmark Energy Data Set 215 $a 13 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. 3 (2018), s. 1254-1266 $1 210 $c American Chemical Society 610 $a density functional theory 610 $a main group thermochemistry 610 $a generalized gradient approximation 700 -1
$3 cav_un_auth*0233069 $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 Řezáč $b Jan $p UOCHB-X $z K $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0311642 $i Teoretická bioanorganická chemie $j Theoretical Bioinorganic Chemistry $k 640/64 $l 640/64 $w Molecular modeling and spectroscopy in chemistry and biology $4 070 $a Bím $b Daniel $p UOCHB-X $y CZ $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0276298 $i Teoretická bioanorganická chemie $j Theoretical Bioinorganic Chemistry $k 640/64 $l 640/64 $w Molecular modeling and spectroscopy in chemistry and biology $4 070 $a Gutten $b Ondrej $p UOCHB-X $y CZ $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0103667 $i Teoretická bioanorganická chemie $j Theoretical Bioinorganic Chemistry $k 640/64 $l 640/64 $w Molecular modeling and spectroscopy in chemistry and biology $4 070 $a Rulíšek $b Lubomír $p UOCHB-X $z K $T Ústav organické chemie a biochemie AV ČR, v. v. i.
Počet záznamů: 1