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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcfecl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1730.91843048; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ncsincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1413.46436175; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1742.68612406; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh3hgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-233.042006219; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh3cuch3_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-293.855212432; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes izrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-404.140694531; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nchhgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-269.898125394; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchnipf33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2170.83038357; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nchfecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1598.23038269; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-590.885379471; Eh
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