fe_tacn2

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PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegc2_5b_bp_d3_tzvp_optMariusz, RadonTURBOMOLE; 6.6Geometry optimization MinimumU-DFTdef2-TZVP--2067.752043195; Eh
thumbnail.jpegc2_5b_bp_d3_tzvp_water_optMariusz, RadonTURBOMOLE; 6.6Geometry optimizationU-DFTdef2-TZVP--2068.000232751; Eh
thumbnail.jpegc2_1a_bp_d3_tzvp_water_optMariusz, RadonTURBOMOLE; 6.6Geometry optimizationDFTdef2-TZVP--2068.031442607; Eh
thumbnail.jpegw6_quint_bp_d3_tzvp_water_optMariusz, Radon-Geometry optimizationU-DFTdef2-TZVP--2526.935819190; Eh
thumbnail.jpegw6_singl_bp_d3_tzvp_water_optMariusz, Radon-Geometry optimizationDFTdef2-TZVP--2526.967424684; Eh
thumbnail.jpegc2_1a_bp_d3_tzvp_optMariusz, RadonTURBOMOLE; 6.6Geometry optimization MinimumDFTdef2-TZVP--2067.778703342; Eh
Collection's Items (Sorted by in order): 1 to 6 of 6
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