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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes hpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-471.715030467; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nchalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*-1716.69320947; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes imosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1276.12608820; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-267.646310039; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-619.872210592; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2349.69203862; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2orush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1766.61889038; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hrhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-492.748307389; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hcunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-367.459534182; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hfeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-577.986490413; Eh
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