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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Apr-2021sp_s12g_4_CSwart, MarcelADF; Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Apr-2021sp_s12g_4_ASwart, MarcelADF; Single pointS12g-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.jpeg16-Dec-2020moss_c1_1_3Swart, MarcelADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Apr-2021sp_s12g_1Sc_BSwart, MarcelADF; Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg16-Dec-2020moss_c1_1_5Swart, MarcelADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg16-Dec-2020opt_c2_2_1Swart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Apr-2021sp_s12g_3_ASwart, MarcelADF; Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg16-Dec-2020opt_c2_2_3Swart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
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