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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg4-Oct-2021/monocopper monoCu_C3_optSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_DPND opt_pyrrole_0_3_inpSwart, MarcelADF; 2019Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_DPND opt_pyrrole_0_1_inpSwart, MarcelADF; 2019Single 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.jpeg26-Aug-2020/Bodsep_corrphycenes opt_corphyceneN2_-2_1_inpSwart, MarcelADF; 2019Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene opt_acetylene_inpSwart, MarcelADF; 2019Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene opt_benz_inpSwart, MarcelADF; 2019Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg16-Dec-2020opt_c2_2_1Swart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg16-Dec-2020opt_c2_2_3Swart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Results 1-10 of 246 (Search time: 0.001 seconds).