Browse Collection: POM_geometry_optimisations_part2 POM_geometry_optimisations_part2 https://iochem-bd.bsc.es/browse/handle/100/327865 2026-04-07T14:01:01Z 2026-04-07T14:01:01Z cation-heteroatom_distance_910pm_alpha-_SiW12O40__4-_BP86_Water_ Jacobs, Jake https://iochem-bd.bsc.es/browse/handle/100/327929 2024-08-11T15:30:27Z 2024-08-11T17:29:09Z Title: cation-heteroatom_distance_910pm_alpha-_SiW12O40__4-_BP86_Water_ Authors: Jacobs, Jake Description: alpha-[SiW12O40]_4- POM in Water solvent with Li counter-cations, calculated using the BP86 functional and TZP basis set. 2024-08-11T17:29:09Z alpha-_SiW12O40__4-_PBE0_Vacuum_TZP_None Jacobs, Jake https://iochem-bd.bsc.es/browse/handle/100/327928 2024-08-11T15:30:27Z 2024-08-11T17:29:06Z Title: alpha-_SiW12O40__4-_PBE0_Vacuum_TZP_None Authors: Jacobs, Jake Description: alpha-[SiW12O40]_4- POM in Vacuum solvent with None counter-cations, calculated using the PBE0 functional and TZP basis set. 2024-08-11T17:29:06Z alpha-_SiW12O40__4-_PBE0_Vacuum_TZP_Li Jacobs, Jake https://iochem-bd.bsc.es/browse/handle/100/327927 2024-08-11T15:30:27Z 2024-08-11T17:29:03Z Title: alpha-_SiW12O40__4-_PBE0_Vacuum_TZP_Li Authors: Jacobs, Jake Description: alpha-[SiW12O40]_4- POM in Vacuum solvent with Li counter-cations, calculated using the PBE0 functional and TZP basis set. 2024-08-11T17:29:03Z alpha-_SiW12O40__4-_PBE0_Vacuum_TZP_TMA Jacobs, Jake https://iochem-bd.bsc.es/browse/handle/100/327926 2024-08-11T15:30:27Z 2024-08-11T17:29:00Z Title: alpha-_SiW12O40__4-_PBE0_Vacuum_TZP_TMA Authors: Jacobs, Jake Description: alpha-[SiW12O40]_4- POM in Vacuum solvent with TMA counter-cations, calculated using the PBE0 functional and TZP basis set. 2024-08-11T17:29:00Z