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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenocro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-865.711566603; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes smerush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2128.39853180; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes smemno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-768.078015067; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes shoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-714.831814684; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sime3rhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-901.492013204; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sime3tame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-625.927258552; Eh
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