https://iochem-bd.bsc.es/browse/handle/100/312826 POM_geometry_optimisations Thu, 07 May 2026 12:10:13 GMT 2026-05-07T12:10:13Z https://iochem-bd.bsc.es/browse/handle/100/312984 Title: alpha-_SiW12O40__4-_PBE0_no_TZP_no Authors: Jacobs, Jake Description: alpha-[SiW12O40]_4- POM in no solvent with no counter-cations, calculated using the PBE0 functional and TZP basis set. Mon, 30 Oct 2023 16:33:56 GMT https://iochem-bd.bsc.es/browse/handle/100/312984 2023-10-30T16:33:56Z https://iochem-bd.bsc.es/browse/handle/100/312983 Title: alpha-_SiW12O40__4-_BP86_no_TZP_no Authors: Jacobs, Jake Description: alpha-[SiW12O40]_4- POM in no solvent with no counter-cations, calculated using the BP86 functional and TZP basis set. Mon, 30 Oct 2023 16:33:53 GMT https://iochem-bd.bsc.es/browse/handle/100/312983 2023-10-30T16:33:53Z https://iochem-bd.bsc.es/browse/handle/100/312982 Title: alpha-_SiW12O40__4-_B3LYP_no_TZP_no Authors: Jacobs, Jake Description: alpha-[SiW12O40]_4- POM in no solvent with no counter-cations, calculated using the B3LYP functional and TZP basis set. Mon, 30 Oct 2023 16:33:50 GMT https://iochem-bd.bsc.es/browse/handle/100/312982 2023-10-30T16:33:50Z https://iochem-bd.bsc.es/browse/handle/100/312981 Title: alpha-_SiW12O40__4-_BP86_Acetonitrile_TZP_no Authors: Jacobs, Jake Description: alpha-[SiW12O40]_4- POM in Acetonitrile solvent with no counter-cations, calculated using the BP86 functional and TZP basis set. Mon, 30 Oct 2023 16:33:47 GMT https://iochem-bd.bsc.es/browse/handle/100/312981 2023-10-30T16:33:47Z