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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-2766.10329349; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ofenofecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1274.17400025; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1100.38275816; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes imidazolfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1270.41213463; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1045.24323401; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes piridinafecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1292.47297125; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilno2fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1480.55960380; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1122.38309951; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1735.64725585; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xefecl3baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1520.19216072; Eh
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