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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jun-2019Mo-ts-14-15Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-1941.61009948; 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
thumbnail.jpeg18-Mar-2019TBD_assisted_deprotonation_and_CN_cleavageArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-1071.29653383; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-9-14Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-1940.43939441; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-13-9Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-2381.62075659; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_with_diisopropyl-methylphenolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-831.820620656; 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 97 (Search time: 0.001 seconds).