https://iochem-bd.iciq.es/browse/handle/100/99939 InHfOx_InZrOx Tue, 14 Apr 2026 21:36:41 GMT 2026-04-14T21:36:41Z https://iochem-bd.iciq.es/browse/handle/100/110027 Title: /Ab-inito-molecular-dynamics/In(OH)3-t-ZrO2/In(OH)3-t-ZrO2-HCOO In(OH)₃-t-ZrO₂-HCOO-part3 Authors: Ritopecki, Milica Abstract: Ab inito molecular dynamics for In(OH)₃-t-ZrO₂ with one oxygen vacancy and HCOO intermediate, part 3. XDATCAR contains all the steps of AIMD. Tue, 02 Dec 2025 22:00:29 GMT https://iochem-bd.iciq.es/browse/handle/100/110027 2025-12-02T22:00:29Z https://iochem-bd.iciq.es/browse/handle/100/110026 Title: /Ab-inito-molecular-dynamics/In(OH)3-t-ZrO2/In(OH)3-t-ZrO2-vac In(OH)₃-t-ZrO₂-vac-part4 Authors: Ritopecki, Milica Abstract: Ab inito molecular dynamics for In(OH)₃-t-ZrO₂ with one oxygen vacancy, part 4. XDATCAR contains all the steps of AIMD. Tue, 02 Dec 2025 22:00:37 GMT https://iochem-bd.iciq.es/browse/handle/100/110026 2025-12-02T22:00:37Z https://iochem-bd.iciq.es/browse/handle/100/110025 Title: /Ab-inito-molecular-dynamics/In(OH)3-t-ZrO2/In(OH)3-t-ZrO2-pristine In(OH)₃-t-ZrO₂-pristine-part4 Authors: Ritopecki, Milica Abstract: Ab inito molecular dynamics for pristine In(OH)₃-t-ZrO₂, part 4. XDATCAR contains all the steps of AIMD. Tue, 02 Dec 2025 22:00:40 GMT https://iochem-bd.iciq.es/browse/handle/100/110025 2025-12-02T22:00:40Z https://iochem-bd.iciq.es/browse/handle/100/110024 Title: /Ab-inito-molecular-dynamics/In(OH)3-t-ZrO2/In(OH)3-t-ZrO2-CH3O In(OH)₃-t-ZrO₂-CH₃O-part4 Authors: Ritopecki, Milica Abstract: Ab inito molecular dynamics for In(OH)₃-t-ZrO₂ with one oxygen vacancy and CH₃O intermediate, part 4. XDATCAR contains all the steps of AIMD. Tue, 02 Dec 2025 22:00:23 GMT https://iochem-bd.iciq.es/browse/handle/100/110024 2025-12-02T22:00:23Z