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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required17-Dec-20193ts_u2o4_4py_waPetrus, EnricADF; 2016Transition statePBETZP-
Login required17-Dec-20193_u2o2oh2_4pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
Login required17-Dec-20193_u2o4_2pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
Login required17-Dec-20193_u2o4_4pyPetrus, EnricADF; 2016Single pointPBETZP-
Login required17-Dec-20191ts_h2_waPetrus, EnricADF; 2016Single pointPBETZP-
Login required17-Dec-2019h2oPetrus, 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-
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