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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Aug-2020/Bodsep_porphyrins bodsep_ru3_inpSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt04_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt10_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt03_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_porphyrins bodsep_pda_inpSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
Login required4-Oct-2021/monocopper monoCu_C3_optSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt01_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene bodsep_d3h_benz_0_1_lt2_01_inpSwart, MarcelADF; 2019Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_porphyrins bodsep_ru1_s2c_inpSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_porphyrins bodsep_ti1_s2c_inpSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
Results 11-20 of 245 (Search time: 0.0 seconds).