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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hfeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-577.9805591; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-itame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-228.126914; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-iZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2359.9479202; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-732.981043296; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1877.34946190; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nchkBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-121.6047918; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-iconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-439.6343287; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-428.7789262; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1690.8461892; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2349.0291317; Eh
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