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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2oso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-394.039489838; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1122.38309951; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-343.813486835; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1121.14015441; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1693.13153668; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-521.069376797; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchnbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-357.673599540; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-570.074259396; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-547.899350189; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-555.707463954; Eh
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