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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-sime3ZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2757.71679; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-sime3wco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1043.2587483; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-bpinfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1298.386488; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-bpincunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-620.8740499; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-bpinconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-682.2219893; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-bpinfeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-831.3984998; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-bpincro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-566.8049455; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-bpinkBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-282.2891431; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-sime3mosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1673.9170791; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-sime3incl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1331.6763223; Eh
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