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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes cncucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-383.191219270; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-665.339565189; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cohgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-289.784080415; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes srhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-890.712770813; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes clniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-974.400195245; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cncuch3_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-330.207679710; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-fecl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1544.68118005; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes srush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2088.40831758; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cngacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1475.79943217; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cnznnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-376.304207609; Eh
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