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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ifecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1055.8661244; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-h2orush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1766.6046102; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hrhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-492.7355911; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-428.7789262; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hnbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-281.5011204; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1439.7033445; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hmno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-330.5343095; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-hpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-471.712868; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xenipf33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2109.52678680; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xeincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-937.618583106; Eh
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