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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/C60ACET/SPE B5PPArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-2934.5378952; Eh
thumbnail.jpeg3-Oct-2019/ACET/SPE B6Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRM06Lcc-pVTZ-1839.2051095; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4PPArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-2934.32408648; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4PPB5PPArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-2934.28492315; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4PB5P_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-3970.72567938; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4PB5PArtigas, AlbertGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-3970.73552411; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-3970.77237810; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-5007.22654435; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-5007.24180452; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B3B4_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-5007.15867776; Eh
Results 31-40 of 205 (Search time: 0.001 seconds).