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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jul-2018/ADF/ADF_P303/UO2_2NO3_2H2O UO2_2NO3_2H2OPetrus, EnricADF; 2016Single point TSDFTTZP-
thumbnail.jpeg22-Jul-2018/ADF/ADF_P303/UO2_OH_NO3_H2O UO2_OH_NO3_H2OPetrus, EnricADF; 2016Single point TSDFTTZP-
thumbnail.jpeg22-Jul-2018/ADF/ADF_P303/UO2_NO3_2H2O UO2_NO3_2H2OPetrus, EnricADF; 2016Single point TSDFTTZP-
Login required30-Apr-2019/OO_O/4_oxyls 4_oxylsPetrus, EnricADF; 2016Single point TSDFTTZP-
thumbnail.jpeg22-Jul-2018/ADF/ADF_P1/UO2_OH_NO3_H2O UO2_OH_NO3_H2OPetrus, EnricADF; 2016Single point TSDFTTZP-
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