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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019I2_56d_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.24094107; Eh
thumbnail.jpeg3-Oct-2019TS1_56d_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--2785.22537826; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_56f_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point MinimumUB3LYP--2785.28238905; Eh
thumbnail.jpeg3-Oct-2019TS1_55_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUB3LYP--2785.23034467; Eh
thumbnail.jpeg3-Oct-2019PRODUCT_56d_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point TSUB3LYP--2785.26534028; 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-2019I1_66_TRIPLETArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYP--2785.24164119; Eh
Results 21-30 of 61 (Search time: 0.0 seconds).