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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-gacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1422.85310369; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-aucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1556.45988512; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-znnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-323.404438124; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-agnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-413.143708114; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brsnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-136.561496753; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-527.591076435; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brfecl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1518.22181362; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-aucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-268.645851630; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brgacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1396.37631904; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-935.820793479; Eh
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