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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jul-202406_Rh_VI_bis_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3442.18053843; Eh
thumbnail.jpeg30-Jul-202403_VIII_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3442.12648421; Eh
thumbnail.jpeg30-Jul-202402_VII_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3442.18055781; Eh
thumbnail.jpeg30-Jul-202405_Rh_VI_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3442.16500979; Eh
thumbnail.jpeg30-Jul-202404_IX_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3442.16855801; Eh
thumbnail.jpeg30-Jul-202407_VI_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ-1185.15490964; Eh
thumbnail.jpeg30-Jul-202405_XV_opt_freq_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RM06LCC-PVDZ CC-PVTZ GEN-3442.5007099; Eh
Login required26-Nov-2024PPPPMRArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ CC-PVTZ-3459.9339026; Eh
Login required26-Nov-2024MMPPPSArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ CC-PVTZ-3459.9099608; Eh
Login required26-Nov-2024MPPPMSArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ CC-PVTZ-3459.916094; Eh
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