Browse Collection: DFT Calculations https://iochem-bd.iciq.es/browse/handle/100/26181 DFT Calculations Fri, 03 Apr 2026 19:49:24 GMT 2026-04-03T19:49:24Z Mo3O10_0H_BP https://iochem-bd.iciq.es/browse/handle/100/26358 Title: Mo3O10_0H_BP Authors: Petrus, Enric Description: Mo3O10-0H_BP Mon, 27 Jul 2020 11:12:13 GMT https://iochem-bd.iciq.es/browse/handle/100/26358 2020-07-27T11:12:13Z 2H2O_PBE0 https://iochem-bd.iciq.es/browse/handle/100/26357 Title: 2H2O_PBE0 Authors: Petrus, Enric Description: 2H2O_PBE0 Fri, 24 Jul 2020 12:00:51 GMT https://iochem-bd.iciq.es/browse/handle/100/26357 2020-07-24T12:00:51Z H2O_PBE0 https://iochem-bd.iciq.es/browse/handle/100/26356 Title: H2O_PBE0 Authors: Petrus, Enric Description: H2O_PBE0 Fri, 24 Jul 2020 12:00:48 GMT https://iochem-bd.iciq.es/browse/handle/100/26356 2020-07-24T12:00:48Z H3O_PBE0 https://iochem-bd.iciq.es/browse/handle/100/26355 Title: H3O_PBE0 Authors: Petrus, Enric Description: H3O_PBE0 Fri, 24 Jul 2020 12:00:45 GMT https://iochem-bd.iciq.es/browse/handle/100/26355 2020-07-24T12:00:45Z