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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ C6A8_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4048.13342533; Eh
thumbnail.jpeg3-Oct-2019TS_56f_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--2785.22952927; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B6PA7P_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-3011.66256173; Eh
thumbnail.jpeg3-Oct-2019TS_56d_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--2785.22292762; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B6PA7PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-3011.68803019; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B6A7_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4048.11372625; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B6A7Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4048.13669984; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4PPB5PP_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-2934.27367080; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A3PA4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-2798.07086484; Eh
thumbnail.jpeg3-Oct-2019TS2_56d_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUB3LYP--2785.22810934; Eh
Results 1-10 of 41 (Search time: 0.0 seconds).