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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jul-2020Mo7O24_0H_BPPetrus, EnricADF; 2019Geometry optimizationBP86TZP-9.81590076; Eh
thumbnail.jpeg24-Jul-2020Mo7O24_1H_BPPetrus, EnricADF; 2019Geometry optimizationBP86TZP-9.81526108; Eh
thumbnail.jpeg24-Jul-2020Mo7O24_2H_BPPetrus, EnricADF; 2019Geometry optimizationBP86TZP-9.79581805; Eh
thumbnail.jpeg24-Jul-2020Mo8O26_0H_BPPetrus, EnricADF; 2019Geometry optimizationBP86TZP-10.46831636; Eh
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/2o2_no3 2o2_no3Petrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/UO2_NO3_xH2O/UO2_4H2O UO2_4H2OPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/UO2_2NO3_xH2O/UO2_3H2O UO2_3H2OPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/UO2_OH_xH2O/UO2_2H2O UO2_2H2OPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/UO2_H2Ox/UO2_4H2O UO2_4H2OPetrus, EnricADF; 2016Geometry optimizationBP86TZP-
thumbnail.jpeg15-Jan-2020/ADF/Expansion_Dataset/18A 18APetrus, EnricADF; 2016Geometry optimizationBP86TZP-
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