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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Aug-2020/Bodsep_benzene constr_opt_benzene2_inpSwart, MarcelADF; 2019Geometry optimization QuildS12g-x PBEcTZ2P-
thumbnail.jpeg26-Aug-2020/Bodsep_benzene constr_opt_benzene1_inpSwart, MarcelADF; 2019Geometry optimization QuildS12g-x PBEcTZ2P-
thumbnail.jpeg30-Jan-2022opt_c4_0_1_inpSwart, MarcelADF; 2019; 304Geometry optimization QuildS12g-x PBEcTZ2P-
thumbnail.jpeg30-Jan-2022opt_c4_0_3_inpSwart, MarcelADF; 2019; 304Geometry optimization QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023/uv opt_ncpDMF_3dep_DMFMartins, FredericoADF; 2019; 304Geometry optimization QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023/uv opt_ncpDMF_DMFMartins, FredericoADF; 2019; 304Geometry optimization QuildS12g-x PBEcTZ2P-
Results 1-6 of 6 (Search time: 0.001 seconds).