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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes omecunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-482.021621796; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-pcl3fecl3-bai_new2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-3226.8904387; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ofenofecl2sextup_newBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1274.2784834; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ofenocunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-596.562174414; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomefecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1390.6152316; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomecunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-713.1474306; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ph3fecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1847.9441304; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-scunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-765.3143205; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sfecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1903.3566532; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-shcunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-765.7921263; Eh
Results 11-20 of 371 (Search time: 0.001 seconds).