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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required4-Mar-2020/TD_DFT/dimer_4pyr dimer_4pyrPetrus, EnricADF; 2019Single pointSAOPTZP-
Login required4-Mar-2020/TD_DFT/monomer_2pyr monomer_2pyrPetrus, EnricADF; 2019Single pointSAOPTZP-
Login required4-Mar-2020/TD_DFT/dimer_2pyr dimer_2pyrPetrus, EnricADF; 2019Single pointSAOPTZP-
Login required4-Mar-2020/TD_DFT/peroxo peroxoPetrus, EnricADF; 2019Single pointSAOPTZP-
thumbnail.jpeg3-May-2020monomer_2pyr_scalarPetrus, EnricADF; 2016Single pointSAOPTZP-
thumbnail.jpeg3-May-2020dimer_2pyr_spinorbitPetrus, EnricADF; 2016Single pointSAOPTZP-
thumbnail.jpeg3-May-2020peroxo_spinorbitPetrus, EnricADF; 2016Single pointSAOPTZP-
thumbnail.jpeg3-May-2020monomer_2pyr_spinorbitPetrus, EnricADF; 2016Single pointSAOPTZP-
thumbnail.jpeg3-May-2020peroxo_scalarPetrus, EnricADF; 2016Single pointSAOPTZP-
thumbnail.jpeg3-May-2020dimer_2pyr_scalarPetrus, EnricADF; 2016Single pointSAOPTZP-
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