https://iochem-bd.iciq.es/browse/handle/100/52360 2026-04-10T19:20:01Z https://iochem-bd.iciq.es/browse/handle/100/53388 Title: /EPR-structures m-ZrO₂-1vac-EPR-active-PBE Authors: Morales-Vidal, Jordi Description: EPR active m-ZrO₂ structure with one oxygen vacancy computed with PBE 2022-12-02T16:40:16Z https://iochem-bd.iciq.es/browse/handle/100/53387 Title: /EPR-structures m-ZrO₂-1vac-EPR-silent-HSE03 Authors: Morales-Vidal, Jordi Description: EPR silent m-ZrO₂ structure with one oxygen vacancy computed with HSE03 with 13% of nonlocal Hartree-Fock exchange 2022-12-02T16:40:13Z https://iochem-bd.iciq.es/browse/handle/100/53386 Title: /EPR-structures m-ZrO₂-1vac-EPR-active-HSE03 Authors: Morales-Vidal, Jordi Description: EPR active m-ZrO₂ structure with one oxygen vacancy computed with HSE03 with 13% of nonlocal Hartree-Fock exchange 2022-12-02T16:40:10Z https://iochem-bd.iciq.es/browse/handle/100/53385 Title: /EPR-structures m-ZrO₂-superoxide-H₂-EPR-active Authors: Morales-Vidal, Jordi Description: EPR active m-ZrO₂ superoxide structure stabilized by H₂ 2022-12-02T16:40:07Z