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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Jul-2024c60_X_ts_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPCC-PVDZ-3471.58215441; Eh
thumbnail.jpeg5-Jul-202412_ts_4_bis_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRB3LYPCC-PVDZ GEN-3442.13505051; Eh
thumbnail.jpeg5-Jul-202411_ts_4_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRB3LYPCC-PVDZ GEN-3442.14774262; Eh
thumbnail.jpeg5-Jul-202410_ts_3_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRB3LYPCC-PVDZ GEN-3442.11600366; Eh
thumbnail.jpeg5-Jul-202408_ts_1_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRB3LYPCC-PVDZ GEN-3442.12232956; Eh
thumbnail.jpeg5-Jul-202409_ts_2_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRB3LYPCC-PVDZ GEN-3442.11699474; Eh
thumbnail.jpeg5-Jul-202407_ts_2_bis_aq_2_opt_freq_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP; RM06LCC-PVDZ CC-PVTZ GEN-3595.3656499; Eh
thumbnail.jpeg5-Jul-202410_ts_5_aq_2_opt_freq_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP; RM06LCC-PVDZ CC-PVTZ GEN-3442.4841561; Eh
thumbnail.jpeg5-Jul-202409_ts_4_aq_2_opt_freq_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP; RM06LCC-PVDZ CC-PVTZ GEN-3595.3945084; Eh
thumbnail.jpeg5-Jul-202408_ts_3_aq_2_opt_freq_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP; RM06LCC-PVDZ CC-PVTZ GEN-3595.4109596; Eh
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