Browsing by Author Swart, Marcel

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt2_09_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt2_10_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt2_11_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene constr_opt_benzene1_inpSwart, MarcelADF; 2019Geometry optimization QuildS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene constr_opt_benzene2_inpSwart, MarcelADF; 2019Geometry optimization QuildS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt01_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt02_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt03_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt04_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt05_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt06_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt07_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt08_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt09_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt10_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt2_01_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt2_02_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt2_03_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt2_04_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene nbo_d3h_benz_0_1_lt2_05_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-