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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilomecuch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-583.501392082; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2ptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-540.603036188; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilomeagnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-719.419274290; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2fecl3baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1582.75756099; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclagnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1064.48885687; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2zncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1685.91709051; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2snme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-201.118718127; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-541.857136332; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclaucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-920.001993948; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1916.43657437; Eh
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