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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-251.644811948; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-589.964725335; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohaucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-304.566904145; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohsnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-198.970885576; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhczrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-618.692532268; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes oagnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-448.409791582; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ofecl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1579.94007520; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes oaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1591.63413894; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohcucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-366.147407473; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohfecl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1580.62750121; Eh
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