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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/UO2_NO3_xH2O/UO2_3H2O UO2_3H2OPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/7B 7BPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/UO2_OH_NO3_xH2O/UO2_H2O UO2_H2OPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/UO2_NO3_xH2O/UO2_2H2O UO2_2H2OPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/2no3_oh 2no3_ohPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/14A 14APetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/UO2_OH_xH2O/UO2_3H2O UO2_3H2OPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/4A 4APetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/UO2_OH_xH2O/UO2_4H2O UO2_4H2OPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/2A 2APetrus, EnricADF; 2016Geometry optimizationBP86TZP-
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