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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/cobaltocenium tripl_BP86Mariusz, RadonTURBOMOLE; 7.0.1U-DFTdef2-TZVP-1770.026345937; Eh
thumbnail.jpeg/cobaltocenium tripl_PBE0Mariusz, RadonTURBOMOLE; 7.0.1U-DFTdef2-TZVP-1769.064457030; Eh
thumbnail.jpeg/ruthenocene tripl_BP86Mariusz, RadonTURBOMOLE; 7.0.1U-DFTdef2-TZVP-482.2352425057; Eh
thumbnail.jpeg/ruthenocene tripl_BP86_starMariusz, RadonTURBOMOLE; 7.0.1U-DFTdef2-TZVP-482.2352329071; Eh
thumbnail.jpeg/ruthenocene tripl_PBE0Mariusz, RadonTURBOMOLE; 7.0.1U-DFTdef2-TZVP-481.6255346786; Eh
thumbnail.jpeg/ferrocene tripl_PBE0Mariusz, RadonTURBOMOLE; 7.0.1U-DFTdef2-TZVP-1650.245117758; Eh
thumbnail.jpeg/ferrocene tripl_BP86Mariusz, RadonTURBOMOLE; 7.0.1U-DFTdef2-TZVP-1651.178610383; Eh
thumbnail.jpeg/manganocene sext_BP86Mariusz, RadonTURBOMOLE; 7.0.1(U-DFTdef2-TZVP-1538.427923882; Eh
thumbnail.jpeg/manganocene doubl_BP86Mariusz, RadonTURBOMOLE; 7.0.1(U-DFTdef2-TZVP-1538.459136324; Eh
thumbnail.jpeg/manganocene doubl_PBE0Mariusz, RadonTURBOMOLE; 7.0.1(U-DFTdef2-TZVP-1537.546286777; Eh
thumbnail.jpeg/manganocene sext_PBE0Mariusz, RadonTURBOMOLE; 7.0.1(U-DFTdef2-TZVP-1537.560639471; Eh
thumbnail.jpeg/manganocene sext_PBE0_eclMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-1537.560637096; Eh
thumbnail.jpeg/manganocene sext_PBE0_tolueneMariusz, RadonTURBOMOLE; 7.0.1U-DFTdef2-TZVP-1537.564274351; Eh
thumbnail.jpeg/manganocene doubl_PBE0_tolueneMariusz, RadonTURBOMOLE; 7.0.1U-DFTdef2-TZVP-1537.549560514; 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
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