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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Mar-2019Methyl_iPrPhenolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-582.269442207; Eh
thumbnail.jpeg18-Mar-2019Methyl_formanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-439.990828453; Eh
thumbnail.jpeg18-Mar-2019Protonation_ax_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-1300.01428451; 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_with_formanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-650.245134773; Eh
thumbnail.jpeg18-Mar-2019Protonation_with_formanilideArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-650.251323185; Eh
thumbnail.jpeg18-Mar-2019Protonation_with_methylformanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-689.540080844; 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-2019TBDArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-438.550622380; Eh
thumbnail.jpeg18-Mar-2019Methyl_MePhenolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-425.138318482; Eh
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