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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenoauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1031.75188995; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes smeptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1056.81351100; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xeconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-443.209698330; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes shZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2747.30061585; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xerush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1705.71857142; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xeoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-330.966895906; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenoptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1171.73044452; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenocunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-919.549674954; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes shrhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-890.957645666; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenoticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1991.88214656; Eh
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