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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Mar-2019MethanolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-115.664545044; Eh
thumbnail.jpeg18-Mar-2019Concerted_eq_proton_transfer_with_tbdArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-840.648042027; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_ax_with_formanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-802.799014198; Eh
thumbnail.jpeg18-Mar-2019FeN_assisted_CN_cleavageArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-2238.41661772; Eh
thumbnail.jpeg18-Mar-2019Protonation_with_diisopropyl-methylphenolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-831.822106502; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_with_ureaArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-474.720111130; Eh
thumbnail.jpeg18-Mar-2019Protonation_with_ureaArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-474.708428180; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-1147.45733171; Eh
thumbnail.jpeg18-Mar-2019FormanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-400.696773606; Eh
thumbnail.jpeg18-Mar-2019Protonation_eq_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-1300.01180888; Eh
Results 21-30 of 60 (Search time: 0.002 seconds).