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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ohgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-252.898990989; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fhgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-276.417194888; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fcrh2o5tripleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-568.887768992; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilnipf33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2325.73166474; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilcuch3_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-468.973231284; Eh
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
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