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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Mar-2019Deprotonation_eq_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-1300.00812071; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-15-1Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-1941.61020650; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-7-8Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-2265.93782634; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-11-12Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-2381.62157068; Eh
thumbnail.jpeg24-Jun-2019Hydride_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-1940.40828088; Eh
thumbnail.jpeg18-Mar-2019Protonation_with_diisopropyl-methylphenolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-831.822106502; Eh
thumbnail.jpeg18-Mar-2019Protonation_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-1147.46157554; 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-2019Concerted_ax_proton_transfer_with_tbdArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-840.650658407; Eh
thumbnail.jpeg18-Mar-2019Protonation_ax_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-1300.01428451; Eh
Results 31-40 of 97 (Search time: 0.001 seconds).