Browsing by Subject Cyclotrimerization

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Showing results 85 to 104 of 205 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A6PA8P_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-3011.68934643; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A6PC7PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-3011.69877838; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A7Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4048.21437088; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A7_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4048.18520584; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A7A8Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4048.18204387; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A7A8_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4048.15432672; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A7PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-3011.75852959; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A7P_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-3011.72341494; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A7PA8P_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-3011.69540920; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A7PA8P_66Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-3011.71343503; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A8Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4048.21604562; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A8_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4048.23111339; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A8PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-3011.77671944; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A8P_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-3011.71319329; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A9Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-5084.67441265; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A9_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-5084.67135100; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ ACETYLENEArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-77.3335540462; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B2Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4929.84383327; 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 B3B4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-5007.17861027; Eh