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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg5-Jul-202405_XIV_opt_freq_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RM06LCC-PVDZ CC-PVTZ GEN-3442.5007099; Eh
thumbnail.jpeg5-Jul-202401_Rh_1a_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3442.13932510; Eh
thumbnail.jpeg5-Jul-202406_ts_2_aq_2_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ GEN-3595.06254999; Eh
thumbnail.jpeg5-Jul-202403_ts_2_aq_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-3595.3864707; Eh
thumbnail.jpeg5-Jul-202402_XI_aq_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-3595.4171867; Eh
thumbnail.jpeg5-Jul-202401_X_aq_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRM06LCC-PVTZ GEN-3595.4360769; Eh
thumbnail.jpeg5-Jul-202403_XIII_aq_2_opt_freq_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RM06LCC-PVDZ CC-PVTZ GEN-3595.417924; Eh
thumbnail.jpeg5-Jul-202404_XIV_aq_2_opt_freq_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RM06LCC-PVDZ CC-PVTZ GEN-3595.4321543; Eh
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