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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3ptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2184.59906024; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omeyh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-535.297921999; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3aucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-2157.39282663; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3zncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-3330.01574503; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3aucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-3238.41214304; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3agnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2095.05326637; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-979.939569319; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omeincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1037.54225195; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohrhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-567.968449458; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omegacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1498.08894056; Eh
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