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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fenilauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-710.6004995; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ffeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-677.2469772; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-h2ooso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-391.8751908; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-frush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1790.1327342; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fenilcunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-598.50544; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-copdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-927.9628939; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-h2omno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-406.0390272; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-718.534306; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fmosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1364.548901; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xefecl3-baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1520.35016481; Eh
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