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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Feb-2019MT_A-1d-SFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-1255.62933375; Eh
thumbnail.jpeg27-Feb-2019MECP-A-TFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G*-1255.62429640; Eh
thumbnail.jpeg27-Feb-2019MECP-A-SFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G*-1255.62429553; Eh
thumbnail.jpeg27-Feb-2019MECP-B-SFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G*-1179.67542523; Eh
thumbnail.jpeg27-Feb-2019MECP-B-TFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+G*-1179.67542158; Eh
thumbnail.jpeg27-Feb-2019_HO--OH_-1Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-151.713681100; Eh
thumbnail.jpeg27-Feb-2019_HO--OH_-2Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-151.895544104; Eh
thumbnail.jpeg27-Feb-2019H2O2Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-151.561812656; Eh
thumbnail.jpeg27-Feb-2019MT_A-1d-TFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1255.62878018; Eh
thumbnail.jpeg27-Feb-2019MT_B-1d-TFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1179.67947276; Eh
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