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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B3Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-5007.20770040; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 z_lin_t_23_1_100-010Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.856659; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_56f_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.28167712; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_66_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.26422697; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_55_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.29394384; Eh
thumbnail.jpeg3-Oct-2019I2_66_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.21968225; 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 A9Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-5084.67441265; 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 ACETYLENEArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-77.3335540462; Eh
Results 31-40 of 980 (Search time: 0.001 seconds).