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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fwco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-733.8605119; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-falcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1723.2712215; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xecucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-305.745126763; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fenilrhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-723.8120164; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fenilmosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1496.2991218; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-528.059256; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1003.9725332; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-feniloso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-547.7116152; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenoyh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-972.676875206; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenozncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2161.02578815; Eh
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