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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Aug-2023hbtp_scholl_pm_pp_ts_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-1613.7742081; Eh
thumbnail.jpeg2-Aug-2023hbtp_scholl_pp_optArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDDEF2SVP-1612.15474067; Eh
thumbnail.jpeg2-Aug-2023hbtp_scholl_pp_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-1613.8086974; Eh
thumbnail.jpeg2-Aug-2023hbtp_scholl_pm_pp_tsArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDDEF2SVP-1612.11946267; Eh
thumbnail.jpeg2-Aug-2023hbtp_scholl_pm_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-1613.8044769; Eh
thumbnail.jpeg2-Aug-2023hbtp_scholl_pm_optArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDDEF2SVP-1612.15052890; Eh
thumbnail.jpeg2-Aug-2023hbtp_ox_p_m_ts_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-1690.1551053; Eh
thumbnail.jpeg2-Aug-2023hbtp_ox_p_m_tsArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDDEF2SVP-1688.40662029; Eh
thumbnail.jpeg2-Aug-2023hbtp_ox_p_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-1690.2052404; Eh
thumbnail.jpeg2-Aug-2023hbtp_ox_p_optArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDDEF2SVP-1688.45806394; Eh
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