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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Nov-2018/water/complexes aq-piridinafecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1292.5842791; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nme3fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1218.66047091; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ph3fecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1848.0396922; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ph3fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1387.401492; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ph3cunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-709.9694464; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nme3cunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-541.052623948; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-2766.2318352; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3fecl3-baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-3226.8921943; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3cunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-2088.8045996; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1120.2837113; Eh
Results 31-40 of 529 (Search time: 0.0 seconds).