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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinacunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-614.8454347; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinafecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1292.4598932; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinafecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1753.1041296; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinafeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-825.6100341; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinahgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-424.7683489; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinaincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1170.4595966; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinaircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1152.2060624; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinakBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-276.4745886; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinamno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-577.9785536; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinamosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1512.7318914; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinanbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-529.0395298; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinaniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-762.3988353; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinaoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-563.8867881; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinapdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1062.9589858; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinapdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-719.4107031; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinaptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-867.037376; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinarhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-739.9632551; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinarush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1938.4864462; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinatame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-464.7397849; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinaticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1687.2009789; Eh