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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3fecl3baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-3226.66666206; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3ptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-923.723964040; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3snme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1844.87916637; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3nipf33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2735.00593328; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3zncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2249.00518698; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes omecrh2o5tripBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-584.130584384; 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 pcl3niph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2236.11450761; 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 ohrhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-567.968449458; Eh
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