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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes xeZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2364.05863957; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xenbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-296.256242747; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes shrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2089.08844312; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes shticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1837.96133861; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xeauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-494.244064051; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sime3ptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1027.99922450; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenotame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-769.430395323; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenomosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1817.42328319; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenopdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1024.12608017; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenoalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-2176.26384369; Eh
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