Browsing by Subject Density Functional Approximations

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Showing results 41 to 60 of 84 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Nov-2019Complex_2_HS_s12gVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_2_HS_s12hVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_3_HS_b3lypVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_3_HS_bp86Vlahovic, FilipADF; 2013; 01Single point QuildDFTDZP; TZP-
thumbnail.jpeg11-Nov-2019Complex_3_HS_ldaVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_3_HS_pbeVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_3_HS_s12gVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_3_HS_s12hVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_4_HS_b3lypVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_4_HS_bp86Vlahovic, FilipADF; 2013; 01Single point QuildDFTTZP; DZP-
thumbnail.jpeg11-Nov-2019Complex_4_HS_ldaVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_4_HS_pbeVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_4_HS_s12gVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_4_HS_s12hVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_5_HS_b3lypVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_5_HS_bp86Vlahovic, FilipADF; 2013; 01Single point QuildDFTTZP; DZP-
thumbnail.jpeg11-Nov-2019Complex_5_HS_ldaVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_5_HS_pbeVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_5_HS_s12gVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_5_HS_s12hVlahovic, FilipADF; 2013; 01Geometry optimization QuildDFTTZ2P-