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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilfecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1736.38921904; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fcuch3_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-337.209940065; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilhgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-408.211573982; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilaucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-460.399923495; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilagnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-604.890415817; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fcucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-390.197043130; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpincrh2o5tripBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-722.988051012; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes clcrh2o5tripleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-929.238130449; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cnyh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-512.933326412; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes coniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-627.451139314; Eh
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