Browsing by Author Swart, Marcel

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Dec-2020moss_c1_1_5Swart, MarcelADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg16-Dec-2020moss_c2_2_1Swart, MarcelADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg16-Dec-2020moss_c2_2_3Swart, MarcelADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg16-Dec-2020moss_c2_2_5Swart, MarcelADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg31-Jan-2019/OPBE tz2p_Fe_IInc2co_1Swart, MarcelADF; 2009; 01Single pointDFTTZ2P-53.47644936; eV
thumbnail.jpeg31-Jan-2019/OPBE tz2p_Fe_IInc2co_3Swart, MarcelADF; 2009; 01Single pointDFTTZ2P-54.97480634; eV
thumbnail.jpeg31-Jan-2019/OPBE tz2p_Fe_IInc2co_5Swart, MarcelADF; 2009; 01Single pointDFTTZ2P-55.02013031; eV
thumbnail.jpeg30-Jan-2022opt_c1_0_1_inpSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg30-Jan-2022opt_c1_0_3_inpSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg30-Jan-2022opt_c1_0_5_inpSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg16-Dec-2020opt_c1_1_1Swart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg16-Dec-2020opt_c1_1_3Swart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg16-Dec-2020opt_c1_1_5Swart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg30-Jan-2022opt_c1ox_1_6_inpSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg30-Jan-2022opt_c2-bu4n_0_4_inpSwart, MarcelADF; 2019; 307Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg30-Jan-2022opt_c2-bu4n_0_6_inpSwart, MarcelADF; 2019; 307Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg30-Jan-2022opt_c2-bu4nOX_1_1_inpSwart, MarcelADF; 2019Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg30-Jan-2022opt_c2-bu4nRD_-1_5_inpSwart, MarcelADF; 2019Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg30-Jan-2022opt_c2-lithf_0_2_inpSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg30-Jan-2022opt_c2-lithf_0_4_inpSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-