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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fkBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-128.2135328; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xeaucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-244.165371119; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fenilircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1135.7437193; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fenilpdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1046.4776096; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fenilrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1921.8934663; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fenilalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1854.9993665; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fpdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-914.7080668; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenozrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-945.458444246; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenoznnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-836.091022553; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xeagnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-388.575823664; Eh
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