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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Nov-2018/water/complexes aq-tiofenofecl2sextup_newfix2freqBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1597.2557704; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-tiofenofecl3-bai_newfix3freqBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-2057.9044757; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xefecl3bai_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1520.2067579; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xecrh2o5trip_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-484.4406056; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xefecl3-bai_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1520.4180787; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3cunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-2088.51369627; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1453.7123772; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinafecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1753.1041296; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3cunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-776.2449979; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omefecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1159.56288030; Eh
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