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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-342.906725648; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes oznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-342.295305117; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes oticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1514.53647997; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ooso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-391.596878757; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes opdhph32_nhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-890.023190801; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohtame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-292.548338634; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes optf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-693.591076091; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes orush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1765.38393711; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-2424.33844573; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohwco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-709.819533414; Eh
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