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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/w_cn4_o_oh PBE0_SMariusz, RadonTURBOMOLE; 7.4.1DFTdef2-TZVP-589.7368265693; Eh
thumbnail.jpeg/w_cn4_o_oh2 PBE0_SMariusz, RadonTURBOMOLE; 7.4.1DFTdef2-TZVP-590.2031128497; Eh
thumbnail.jpeg/zinc_site zn_nch5_oh2Mariusz, RadonTURBOMOLE; 7.4.1DFTdef2-TZVP-2322.096121338; Eh
thumbnail.jpeg/zinc_site zn_nch5_ohMariusz, RadonTURBOMOLE; 7.4.1DFTdef2-TZVP-2321.629071424; Eh
thumbnail.jpeg/w_cn5_oh_oh PBE_S_distortedMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.1651729489; Eh
thumbnail.jpeg/w_cn5_oh_oh PBE_T_distortedMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.1434454497; Eh
thumbnail.jpeg/w_cn5_oh_oh PBE0_T_distortedMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.0698582322; Eh
thumbnail.jpeg/w_cn5_oh_oh PBE0_T_pentabpyMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.0684733536; Eh
thumbnail.jpeg/w_cn5_oh_oh PBE0_S_distortedMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.0874578339; Eh
thumbnail.jpeg/w_cn5_oh_oh PBE0_S_pentabpyMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.0604952185; Eh
thumbnail.jpeg/w_cn5_oh_oh PBE0_S_pentabpy_TcorrMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.0655336961; Eh
thumbnail.jpeg/w_cn5_oh_oh2 PBE0_S_distortedMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.5392488208; Eh
thumbnail.jpeg/w_cn5_oh_oh2 PBE0_T_pentabpyMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.5331888063; Eh
thumbnail.jpeg/w_cn5_oh_oh2 PBE0_S_pentabpyMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.5251199743; Eh
thumbnail.jpeg/w_cn5_oh_oh2 PBE0_S_pentabpy_TcorrMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.5304229162; Eh
thumbnail.jpeg/w_cn5_oh_oh2 PBE_S_distortedMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.6135123367; Eh
thumbnail.jpeg/w_cn5_oh_oh2 PBE_T_pentabpyMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.6009475057; Eh
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