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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Apr-2024/FeS0 opt_c36_Fe5_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required20-Jun-2024rev_frq_ts_DUScO2_2_1_1249645_outSwart, MarcelADF; 2017Single point QuildS12g-x PBEcTZ2P-
Login required20-Jun-2024opt_protbk_3_1_10802864_outSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required29-Sep-2024opt_Ni-OH_-2_3_1243055_outSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required29-Sep-2024opt_Ni-OH_-1_2_1243051_outSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required29-Sep-2024opt_Ni-OH_-2_1_1243054_outSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
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