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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-316.5916465; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xezncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1623.54893581; 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-hcunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-367.4443313; 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
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-imno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-341.3894262; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xesnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-138.410425920; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xeptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-478.091325654; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xeniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-529.611709952; Eh
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