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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-May-2020dimer_2pyr_spinorbitPetrus, EnricADF; 2016Single pointSAOPTZP-
thumbnail.jpeg3-May-2020u2o4_2oh_4pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
thumbnail.jpeg3-May-2020uo2_2no3_2h2oPetrus, EnricADF; 2016Geometry optimizationPBETZP-
thumbnail.jpeg3-May-2020hno3Petrus, EnricADF; 2016Geometry optimizationPBETZP-
thumbnail.jpeg3-May-20203_u2o2oh2_4pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
thumbnail.jpeg3-May-2020monomer_2pyr_spinorbitPetrus, EnricADF; 2016Single pointSAOPTZP-
thumbnail.jpeg3-May-2020hpyPetrus, EnricADF; 2016Geometry optimizationPBETZP-2.59818599; Eh
thumbnail.jpeg3-May-20203_u2o3oh_4pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
thumbnail.jpeg3-May-2020peroxo_spinorbitPetrus, EnricADF; 2016Single pointSAOPTZP-
thumbnail.jpeg3-May-2020uo2_no3_oh_2pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
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