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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Jan-2019/L1 1b-2HFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1180.58766251; Eh
thumbnail.jpeg17-Jan-2019/L1 1cFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1255.43774291; Eh
thumbnail.jpeg17-Jan-2019/L1 1c-1HFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1255.91235712; Eh
thumbnail.jpeg17-Jan-2019/L1 1c-2HFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1256.34485846; Eh
thumbnail.jpeg17-Jan-2019/L3 1aFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1294.38481270; Eh
thumbnail.jpeg17-Jan-2019/L3 1dFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1445.93474431; Eh
thumbnail.jpeg17-Jan-2019/L3 1c-OHadductFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1445.92680308; Eh
thumbnail.jpeg17-Jan-2019/L4 1dFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1560.46221970; Eh
thumbnail.jpeg17-Jan-2019/L4 1cFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1484.51255292; Eh
thumbnail.jpeg17-Jan-2019/L4 1aFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1408.91190830; Eh
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