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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Mar-2019Deprotonation_with_trimethylphenolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-674.685327185; Eh
thumbnail.jpeg18-Mar-2019Direct_proton_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-249.493904735; Eh
thumbnail.jpeg18-Mar-2019Direct_eq_proton_transferArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-402.047902201; Eh
thumbnail.jpeg18-Mar-2019Direct_ax_proton_transferArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-402.048355060; Eh
thumbnail.jpeg18-Mar-2019Protonation_ax_with_Methyl_formanilideArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-842.094823435; Eh
thumbnail.jpeg18-Mar-2019FeN_assisted_CN_cleavageArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-2238.41661772; Eh
thumbnail.jpeg18-Mar-2019Concerted_proton_transfer_with_methanolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-365.199855280; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_ax_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-1300.01218367; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_eq_with_Methyl_formanilideArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-842.085289019; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_ax_with_Methyl_formanilideArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-842.094823435; Eh
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