Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 A9_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-5084.67135100; 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 A8PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-3011.77671944; 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 A7PA8P_66Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-3011.71343503; 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 A8Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4048.21604562; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ A3PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPcc-pVDZ-2798.09392815; Eh
Results 41-50 of 109 (Search time: 0.001 seconds).