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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B3B4_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-5007.15867776; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B3B4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-5007.17861027; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-5007.24180452; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_66_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.26422697; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_56f_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point MinimumUB3LYP--2785.28238905; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_55_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.29394384; Eh
thumbnail.jpeg3-Oct-2019TS1_55_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUB3LYP--2785.23034467; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_56d_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point TSUB3LYP--2785.26534028; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B3Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-5007.20770040; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B2Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4929.84383327; Eh
Results 61-70 of 311 (Search time: 0.001 seconds).