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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4PB5P_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-3970.72567938; Eh
thumbnail.jpeg3-Oct-2019TS1_55_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUB3LYP--2785.22892587; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-3970.77237810; Eh
thumbnail.jpeg3-Oct-2019I2_66_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.22065252; Eh
thumbnail.jpeg3-Oct-2019TS1_66_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUB3LYP--2785.21305952; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-5007.22654435; Eh
thumbnail.jpeg3-Oct-2019I2_56d_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.24094107; Eh
thumbnail.jpeg3-Oct-2019TS1_56d_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--2785.22537826; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_66_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.26288383; Eh
thumbnail.jpeg3-Oct-2019TS2_55_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUB3LYP--2785.24734895; Eh
Results 51-60 of 311 (Search time: 0.001 seconds).