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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/water//water complexes aq-brznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-280.5325271; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-ch3-alcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1663.3387712; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-heircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-906.7419277; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-scnmosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1755.7114999; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-scnticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1930.181236; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-2022.1744643; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hepdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-817.5173218; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hemosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1267.2441008; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hecro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-315.5571994; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-scnrhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-983.1658663; Eh
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