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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3cuch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-698.406915748; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3niph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1155.10441506; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3gacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2023.80079502; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3aucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1950.65735366; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3fecl3baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1965.81933735; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3yh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1060.57421452; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3cuch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1959.27450684; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3aucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-869.644388437; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3znnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2005.04996330; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3incl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-2644.09463189; Eh
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