https://iochem-bd.bsc.es/browse/handle/100/327865 POM_geometry_optimisations_part2 Tue, 07 Apr 2026 14:01:01 GMT 2026-04-07T14:01:01Z https://iochem-bd.bsc.es/browse/handle/100/327929 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. Sun, 11 Aug 2024 17:29:09 GMT https://iochem-bd.bsc.es/browse/handle/100/327929 2024-08-11T17:29:09Z https://iochem-bd.bsc.es/browse/handle/100/327928 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. Sun, 11 Aug 2024 17:29:06 GMT https://iochem-bd.bsc.es/browse/handle/100/327928 2024-08-11T17:29:06Z https://iochem-bd.bsc.es/browse/handle/100/327927 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. Sun, 11 Aug 2024 17:29:03 GMT https://iochem-bd.bsc.es/browse/handle/100/327927 2024-08-11T17:29:03Z https://iochem-bd.bsc.es/browse/handle/100/327926 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. Sun, 11 Aug 2024 17:29:00 GMT https://iochem-bd.bsc.es/browse/handle/100/327926 2024-08-11T17:29:00Z