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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3cro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-722.1859184; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omemno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-445.092003025; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3conh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-837.7942772; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omekBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-143.464011196; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-shaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1915.4278525; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-shgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-574.9949465; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-shhgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-575.4735614; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-shincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1321.2270466; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sih3-k_newBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-319.6509953; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3alcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-2032.6946977; Eh
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