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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/cobaltocenium singl_PBE0Mariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1769.111323142; Eh
thumbnail.jpeg/ferrocene singl_BP86_ethanolMariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1651.240383613; 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 PBE0_S_pentabpy_TcorrMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.0655336961; Eh
thumbnail.jpeg/w_cn5_oh_oh2 PBE0_S_pentabpy_TcorrMariusz, RadonTURBOMOLE; 7.4.1U-DFTdef2-TZVP-683.5304229162; Eh
thumbnail.jpeg/fe_acac2trien c2_2a_bp_d3_tzvp_acetone_optMariusz, RadonTURBOMOLEBP86def2-TZVP-2260.459657501; Eh
thumbnail.jpeg/fe_acac2trien c2_6a_bp_d3_tzvp_acetone_optMariusz, RadonTURBOMOLEBP86def2-TZVP-2260.431783493; Eh
thumbnail.jpeg/fe_acac2trien model_c2_2a_bp_d3_tzvp_opt_tmlMariusz, RadonTURBOMOLEBP86def2-TZVP-2103.036161278; Eh
thumbnail.jpeg/fe_acac2trien model_c2_6a_bp_d3_tzvp_opt_tmlMariusz, RadonTURBOMOLEBP86def2-TZVP-2103.005417980; Eh
thumbnail.jpeg/fe_tacn2 c2_1a_bp_d3_tzvp_water_optMariusz, RadonTURBOMOLE; 6.6BP86def2-TZVP-2068.031442607; Eh
thumbnail.jpeg/fe_tacn2 c2_5b_bp_d3_tzvp_water_optMariusz, RadonTURBOMOLE; 6.6BP86def2-TZVP-2068.000232751; Eh
thumbnail.jpeg/fe_tacn2 w6_singl_bp_d3_tzvp_water_optMariusz, RadonTURBOMOLEBP86def2-TZVP-2526.967424684; Eh
thumbnail.jpeg/fe_tacn2 w6_quint_bp_d3_tzvp_water_optMariusz, RadonTURBOMOLEBP86def2-TZVP-2526.935819190; Eh
thumbnail.jpegmodel_c2_2a_bp_d3_tzvp_optMariusz, RadonTURBOMOLEBP86def2-TZVP-2103.036161278; Eh
thumbnail.jpegc2_6a_bp_d3_tzvp_acetone_optMariusz, RadonTURBOMOLEBP86def2-TZVP-2260.431783493; Eh
thumbnail.jpegc2_2a_bp_d3_tzvp_acetone_optMariusz, RadonTURBOMOLEBP86def2-TZVP-2260.459657501; Eh
thumbnail.jpegmodel_c2_6a_bp_d3_tzvp_optMariusz, RadonTURBOMOLEBP86def2-TZVP-2103.005417980; Eh
thumbnail.jpegc2_5b_bp_d3_tzvp_water_optMariusz, RadonTURBOMOLE; 6.6BP86def2-TZVP-2068.000232751; Eh
thumbnail.jpegc2_1a_bp_d3_tzvp_water_optMariusz, RadonTURBOMOLE; 6.6BP86def2-TZVP-2068.031442607; Eh
thumbnail.jpegw6_quint_bp_d3_tzvp_water_optMariusz, RadonTURBOMOLEBP86def2-TZVP-2526.935819190; Eh
thumbnail.jpegw6_singl_bp_d3_tzvp_water_optMariusz, RadonTURBOMOLEBP86def2-TZVP-2526.967424684; Eh
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