Browsing by Subject Density Functional Approximations

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Showing results 1 to 20 of 84  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Nov-2019Complex_10_HS_b3lypVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_10_HS_bp86Vlahovic, FilipADF; 2013; 01Single point QuildDFTTZP; DZP-
thumbnail.jpeg11-Nov-2019Complex_10_HS_ldaVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_10_HS_pbeVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_10_HS_s12gVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_10_HS_s12hVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_11_IS_b3lypVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_11_IS_bp86Vlahovic, FilipADF; 2013; 01Single point QuildDFTTZP; DZP-
thumbnail.jpeg11-Nov-2019Complex_11_IS_ldaVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_11_IS_pbeVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_11_IS_s12gVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_11_IS_s12hVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_12_IS_b3lypVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_12_IS_bp86Vlahovic, FilipADF; 2013; 01Single point QuildDFTTZP; DZP-
thumbnail.jpeg11-Nov-2019Complex_12_IS_ldaVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_12_IS_pbeVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_12_IS_s12gVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_12_IS_s12hVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_13_IS_b3lypVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_13_IS_bp86Vlahovic, FilipADF; 2013; 01Single point QuildDFTDZP; TZP-