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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes ofenoagnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-603.084870935; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2cucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-346.262215428; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2znnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-339.442069210; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2crh2o5tripBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-524.953487740; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes imidazolfecl3baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1730.93928300; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes imidazolniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-740.340652566; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hezrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-395.301253939; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes henipf33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2096.88832096; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2yh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-476.088793503; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2incl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-978.361968148; Eh
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