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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shcro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-711.6244619; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shcunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-765.6783915; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1443.221614; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shfecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1903.5633609; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shfeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-976.1982751; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-574.708501; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shhgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-575.3758619; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1321.2118602; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1302.9174676; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shkBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-427.1466991; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shmno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-728.750547; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shmosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1663.4762872; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shnbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-679.7385335; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-912.9589497; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-714.827587; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shpdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1213.6590946; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-869.9759371; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1017.491726; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shrhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-890.941073; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2089.0745384; Eh