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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required4-Mar-2020/singlet_triplet_mechanism/3ts_u2o4_4py_wa 3ts_u2o4_4py_waPetrus, EnricADF; 2016Transition statePBETZP-
Login required4-Mar-2020/singlet_triplet_mechanism/3ts_u2o4_4py 3ts_u2o4_4pyPetrus, EnricADF; 2016Transition statePBETZP-
Login required4-Mar-2020/singlet_triplet_mechanism/1ts_h2 1ts_h2Petrus, EnricADF; 2016Transition statePBETZP-
Login required17-Dec-20193ts_u2o4_4py_waPetrus, EnricADF; 2016Transition statePBETZP-
Login required17-Dec-20193ts_u2o4_4pyPetrus, EnricADF; 2016Transition statePBETZP-
Login required17-Dec-20191ts_h2Petrus, EnricADF; 2016Transition statePBETZP-
thumbnail.jpeg3-May-20201ts_h2Petrus, EnricADF; 2016Transition statePBETZP-
thumbnail.jpeg3-May-20203ts_u2o4_4pyPetrus, EnricADF; 2016Transition statePBETZP-
thumbnail.jpeg3-May-20203ts_u2o4_4py_waPetrus, EnricADF; 2016Transition statePBETZP-
thumbnail.jpeg1-Mar-2023/TransitionState_Calculations/h2w2o8_ts2 h2w2o8_ts2Petrus, EnricADF; 2019Transition statePBETZP-3.61176910; Eh
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