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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c5-O2-TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-1621.77083293; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations O2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-150.377261042; Eh
thumbnail.jpeg17-Jan-2019/L4 1c-OHadductFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1560.46097737; Eh
thumbnail.jpeg17-Jan-2019/L4 L-OHadductFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1560.46467945; Eh
thumbnail.jpeg17-Jan-2019/L4 TS_1c-fFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+G*-1560.45641570; Eh
thumbnail.jpeg17-Jan-2019/L1 1a-2HFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1180.77988544; Eh
thumbnail.jpeg17-Jan-2019/L4 1eFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1560.48734005; Eh
thumbnail.jpeg17-Jan-2019/L4 1fFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1560.49757776; Eh
thumbnail.jpeg17-Jan-2019/L4 1aFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1408.91190830; Eh
thumbnail.jpeg17-Jan-2019/L1 1aFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1179.85402703; Eh
Results 1-10 of 94 (Search time: 0.001 seconds).