Browse Collection:
https://iochem-bd.iciq.es/browse/handle/100/52360
2026-04-11T08:17:38Z
2026-04-11T08:17:38Z
/EPR-structures m-ZrO₂-1vac-EPR-active-PBE
Morales-Vidal, Jordi
https://iochem-bd.iciq.es/browse/handle/100/53388
2023-02-06T11:53:06Z
2022-12-02T16:40:16Z
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
/EPR-structures m-ZrO₂-1vac-EPR-silent-HSE03
Morales-Vidal, Jordi
https://iochem-bd.iciq.es/browse/handle/100/53387
2023-02-06T11:53:06Z
2022-12-02T16:40:13Z
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
/EPR-structures m-ZrO₂-1vac-EPR-active-HSE03
Morales-Vidal, Jordi
https://iochem-bd.iciq.es/browse/handle/100/53386
2023-02-06T11:53:06Z
2022-12-02T16:40:10Z
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
/EPR-structures m-ZrO₂-superoxide-H₂-EPR-active
Morales-Vidal, Jordi
https://iochem-bd.iciq.es/browse/handle/100/53385
2023-02-06T11:53:07Z
2022-12-02T16:40:07Z
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