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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nchwco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-727.3443837; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hkBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-28.8760212; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nchcro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-406.1320518; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ipdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-826.3204426; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-619.2694492; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-imosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1276.1162549; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-irush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1701.7358156; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hwco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-634.5684331; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xezrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-407.950798097; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xezncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1623.54893581; Eh
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