Browsing by Author Swart, Marcel

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Showing results 85 to 104 of 614 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Aug-2020/Bodsep_porphyrins bodsep_v2_s2c_inpSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_porphyrins bodsep_v4_inpSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_porphyrins bodsep_zn1_inpSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg17-Jan-2020c2DD_frqSwart, MarcelADF; 2017Single point TSDFTTZ2P-
thumbnail.jpeg17-Jan-2020c2DD_optSwart, MarcelADF; 2017Geometry optimization QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020c2DU_frqSwart, MarcelADF; 2017Single point TSDFTTZ2P-
thumbnail.jpeg17-Jan-2020c2DU_optSwart, MarcelADF; 2017Geometry optimization QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020c3_frqSwart, MarcelADF; 2017Single point TSDFTTZ2P-
thumbnail.jpeg17-Jan-2020c3_optSwart, MarcelADF; 2017Single point QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020cA_BPPE_frqSwart, MarcelADF; 2017Single point TSDFTTZ2P-
thumbnail.jpeg17-Jan-2020cA_BPPE_optSwart, MarcelADF; 2017Single point QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020cB_BQPA_frqSwart, MarcelADF; 2017Single point TSDFTTZ2P-
thumbnail.jpeg17-Jan-2020cB_BQPA_optSwart, MarcelADF; 2017Single point QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020cC_6Me3TPA_frqSwart, MarcelADF; 2017Single point TSDFTTZ2P-
thumbnail.jpeg17-Jan-2020cC_6Me3TPA_optSwart, MarcelADF; 2017Single point QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020cD_6Me2BPP_frqSwart, MarcelADF; 2017Single point TSDFTTZ2P-
thumbnail.jpeg17-Jan-2020cD_6Me2BPP_optSwart, MarcelADF; 2017Single point QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020cE_6MeBQPA_frqSwart, MarcelADF; 2017Single point TSDFTTZ2P-
thumbnail.jpeg17-Jan-2020cE_6MeBQPA_optSwart, MarcelADF; 2017Single point QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020cF_BNBQA_frqSwart, MarcelADF; 2017Single point TSDFTTZ2P-