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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-2019Protonation_with_tertbutyl-methylphenolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-910.380419763; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_ax_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-1300.01218367; Eh
thumbnail.jpeg18-Mar-2019Concerted_proton_transfer_with_tbdArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-688.096622177; Eh
thumbnail.jpeg18-Mar-2019Protonation_ax_with_formanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-802.804636767; Eh
thumbnail.jpeg18-Mar-2019FeN_assisted_CN_cleavageArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-2238.41661772; Eh
thumbnail.jpeg18-Mar-2019Adduct_urea_NOArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1830.86216086; Eh
thumbnail.jpeg18-Mar-2019Adduct_MethanolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1721.35503657; 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-2019FormanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-400.696773606; Eh
Results 51-60 of 60 (Search time: 0.001 seconds).