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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019TS2_66_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUB3LYP--2785.21809268; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A3PPA4P_EXO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYPcc-pVDZ-4020.16967765; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A3A4P_ENDO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYPcc-pVDZ-4020.08931793; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A2A3PP_ENDOArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYPcc-pVDZ-4020.08087398; Eh
thumbnail.jpeg3-Oct-2019TS2_55_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUB3LYP--2785.24962224; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A3A4P_ENDO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYPcc-pVDZ-4020.08479574; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A2A3PP_EXOArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYPcc-pVDZ-4020.08043852; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A3PB1Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYPcc-pVDZ-3674.24887146; Eh
thumbnail.jpeg3-Oct-2019TS1_66_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUB3LYP--2785.20774107; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A3PPA4P_ENDO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYPcc-pVDZ-4020.15948507; Eh
Results 21-30 of 201 (Search time: 0.001 seconds).