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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Mar-2019Protonation_ax_with_Methyl_formanilideArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-842.094823435; Eh
thumbnail.jpeg18-Mar-2019TBD_assisted_deprotonation_and_CN_cleavageArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-1071.29653383; Eh
thumbnail.jpeg18-Mar-2019Adduct_Methyl_formanilide_ONArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2045.68671979; Eh
thumbnail.jpeg18-Mar-2019Protonation_with_trimethylphenolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-674.690879784; Eh
thumbnail.jpeg18-Mar-2019UreaArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-225.176236451; Eh
thumbnail.jpeg18-Mar-2019FeH_(PNHP)Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1606.86520449; Eh
thumbnail.jpeg18-Mar-2019Protonation_eq_with_Methyl_formanilideArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-842.090388084; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_ax_with_Methyl_formanilideArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-842.094823435; Eh
thumbnail.jpeg18-Mar-2019Adduct_Methyl_formanilide_NOArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2045.68703469; Eh
thumbnail.jpeg18-Mar-2019Adduct_Methyl_iPrPhenolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2187.97562134; Eh
Results 41-50 of 60 (Search time: 0.001 seconds).