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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required17-Dec-20193_u2o2oh2_4pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
Login required17-Dec-2019u2o4_2oh_4pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
Login required17-Dec-2019u2o4_2oh_2pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
Login required17-Dec-2019monodentatePetrus, EnricADF; 2016Geometry optimizationPBETZP-
Login required17-Dec-2019tripletPetrus, EnricADF; 2019Single pointPBETZP-
Login required17-Dec-2019singletPetrus, EnricADF; 2019Single pointPBETZP-
Login required17-Dec-2019tripletPetrus, EnricADF; 2019Single pointPBETZP-
Login required17-Dec-2019singletPetrus, EnricADF; 2019Single pointPBETZP-
Login required17-Dec-2019bidentatePetrus, EnricADF; 2016Geometry optimizationPBETZP-
Login required4-Mar-2020/singlet_triplet_mechanism/1_u2o4_2py 1_u2o4_2pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
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