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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fpdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-914.7080668; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenozrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-945.458444246; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenoznnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-836.091022553; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-cntame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-309.5030166; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-cocunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-479.7974624; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-cofeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-690.650585; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-cnrhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-584.9579151; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-coauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-592.0455001; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-cnrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1783.1291351; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-cnZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2441.3322943; Eh
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