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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1439.98013691; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1044.96613188; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes iauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-490.432748327; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hnbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-281.507232482; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ipdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-482.652251737; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2oZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2424.96231319; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2omosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1340.83333014; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2orhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-568.015849577; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2opdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-547.531547296; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2onbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-357.163829231; Eh
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