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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_A6A7Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4655.27071527; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ A8Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4655.32807946; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ A9Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYP--3240.58407820; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ C60Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYP--2286.42775672; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ A4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4655.28153198; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_A5PA5Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4655.26917919; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_A5A6Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4655.28782023; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_A4A5PArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4655.25495329; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ A7Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-4655.29222383; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ TS_B3A4Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4655.23443593; Eh
Results 1-10 of 29 (Search time: 0.0 seconds).