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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes omeincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1037.54225195; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omegacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1498.08894056; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omesnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-238.273759815; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-546.969404530; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xefecl3-bai_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g*; sdd-1520.33857139; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xeyh2o5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+g*; sdd-435.138668884; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sih3-k_newBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+g*; sdd-319.603266411; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ofenozrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-622.479526712; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omeagnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-488.371858144; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes shnipf33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2492.90503472; Eh
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