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PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegdoubl_bp_d3_tzvp_optMariusz, RadonTURBOMOLE; 6.5Geometry optimization MinimumU-DFTdef2-TZVP--1834.950644957; Eh
thumbnail.jpegdoubl_pbe_pob_tzvp_optMariusz, RadonTURBOMOLE; 6.5Geometry optimization MinimumU-DFTpob-TZVP--1833.605831769; Eh
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