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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes smeconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-866.346398468; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes smemosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1702.80533811; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes smealcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*-2061.49258352; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sime3ircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1313.39468563; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3tame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-677.564826711; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sih3-cunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-658.176195022; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sih3-rush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1981.57952139; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sime3alcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-2032.62570839; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3mosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1725.56383732; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3mno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-970.589203483; Eh
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