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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A1Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-3757.18041472; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A2Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-2720.74715354; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A3Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-2798.09478919; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A3PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-2798.09392815; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A3PA4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-2798.07086484; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-2798.14319775; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A5Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-2875.53279231; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A5A6Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-2875.53069796; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A6Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-2875.65058750; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A7Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-2953.04513354; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ A8Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-2875.65659013; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ ACETYLENEArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-77.3335540462; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ B3Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-1761.66938437; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ B3B4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-1761.64329326; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ B4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-1761.69957637; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ B5Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-1839.09734586; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ B5B6Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-1839.08749730; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ B6Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-1839.12236546; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ B6B7Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-1839.12139662; Eh
thumbnail.jpeg3-Oct-2019/ACET/OPTFREQ B7Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-1839.13198020; Eh