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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jul-2020Mo_6OH_waterclusterPetrus, EnricADF; 2019Single pointPBETZP-
thumbnail.jpeg24-Jul-2020Mo_2OH_2H2O_waterclusterPetrus, EnricADF; 2019Single pointPBETZP-
Login required4-Mar-2020/singlet_triplet_mechanism/3_u2o4_4py 3_u2o4_4pyPetrus, EnricADF; 2016Single pointPBETZP-
Login required4-Mar-2020/singlet_triplet_mechanism/cp_h2/triplet tripletPetrus, EnricADF; 2019Single pointPBETZP-
Login required4-Mar-2020/singlet_triplet_mechanism/cp_h2/singlet singletPetrus, EnricADF; 2019Single pointPBETZP-
Login required4-Mar-2020/singlet_triplet_mechanism/1ts_h2_wa 1ts_h2_waPetrus, EnricADF; 2016Single pointPBETZP-
Login required4-Mar-2020/singlet_triplet_mechanism/cp/triplet tripletPetrus, EnricADF; 2019Single pointPBETZP-
Login required4-Mar-2020/singlet_triplet_mechanism/cp/singlet singletPetrus, EnricADF; 2019Single pointPBETZP-
thumbnail.jpeg2-Mar-2021/Tungsten/W5O19_0H W5O19_0HPetrus, EnricADF; 2019Single pointPBETZP-
thumbnail.jpeg24-Jul-2020MoO3_3H2O_waterclusterPetrus, EnricADF; 2019Single pointPBETZP-
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