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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Aug-2020/Bodsep_corrphycenes opt_corphycene_-2_1_inpSwart, MarcelADF; 2019Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg16-Dec-2020opt_c2_2_5Swart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg16-Dec-2020opt_c1_1_1Swart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg17-Jan-2020cH_6Me2BPP-OH_optSwart, MarcelADF; 2017Single point QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020cB_BQPA_optSwart, MarcelADF; 2017Single point QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020cC_6Me3TPA_optSwart, MarcelADF; 2017Single point QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020cD_6Me2BPP_optSwart, MarcelADF; 2017Single point QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020c3_optSwart, MarcelADF; 2017Single point QuildDFTTZ2P-
thumbnail.jpeg17-Jan-2020cE_6MeBQPA_optSwart, MarcelADF; 2017Single point QuildDFTTZ2P-
thumbnail.jpeg4-Oct-2021/monocopper monoCu_C1_optSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Results 11-20 of 556 (Search time: 0.001 seconds).