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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Mar-2019Protonation_ax_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-1300.01428451; Eh
thumbnail.jpeg18-Mar-2019Protonation_eq_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-1300.01180888; Eh
thumbnail.jpeg18-Mar-2019Protonation_with_trimethylphenolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-674.690879784; Eh
thumbnail.jpeg18-Mar-2019Direct_eq_proton_transferArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-402.047902201; Eh
thumbnail.jpeg18-Mar-2019Protonation_with_ureaArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-474.708428180; Eh
thumbnail.jpeg4-Jun-2018TSHTFArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-401.815075456; Eh
thumbnail.jpeg4-Jun-2018TS15-16FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-2007.54779297; Eh
thumbnail.jpeg4-Jun-2018TS02-01Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-1606.81776816; Eh
thumbnail.jpeg4-Jun-2018TS16-17FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-2293.81262450; Eh
thumbnail.jpeg4-Jun-2018TS10-11DMFArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-650.251323185; Eh
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