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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jun-2019Mo-ts-13-9Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-2381.62075659; Eh
thumbnail.jpeg18-Mar-2019Protonation_with_trimethylphenolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-674.690879784; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_with_triphenylguanidineArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-1147.45733171; 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-2019Direct_eq_proton_transferArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-402.047902201; Eh
thumbnail.jpeg18-Mar-2019FeN_assisted_CN_cleavageArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-2238.41661772; Eh
thumbnail.jpeg4-Jun-2018TS07-08FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-2007.56202517; Eh
thumbnail.jpeg4-Jun-2018TS20-21DMFArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-2255.92695277; Eh
thumbnail.jpeg4-Jun-2018TS15-16DMFArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G**-1855.19511803; Eh
thumbnail.jpeg4-Jun-2018TS14-02DMFArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G**-1855.18795362; Eh
Results 41-50 of 68 (Search time: 0.001 seconds).