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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ikBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPsdd-39.8229693; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1298.39465732; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nchcunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-459.9467011; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpincunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-620.898449727; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nchalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1716.6863872; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-inbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-292.3914867; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ncscro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-803.89305; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-iticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1450.5978581; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ifeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-588.8611953; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-h2oticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1515.2909245; Eh
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