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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes omeZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2463.64879957; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3mosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1673.9474716; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1453.7123772; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3feco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-986.7613016; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omerhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-607.283768111; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omeptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-733.807491314; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-piridinafecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1753.1041296; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omepdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-929.974812825; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3cunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-776.2449979; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omemosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1379.83460683; Eh
Results 31-40 of 4308 (Search time: 0.002 seconds).