Browse Collection: POM_geometry_optimisations POM_geometry_optimisations https://iochem-bd.bsc.es/browse/handle/100/312826 2026-05-09T07:28:27Z 2026-05-09T07:28:27Z alpha-_SiW12O40__4-_PBE0_no_TZP_no Jacobs, Jake https://iochem-bd.bsc.es/browse/handle/100/312984 2023-10-30T15:36:27Z 2023-10-30T16:33:56Z 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. 2023-10-30T16:33:56Z alpha-_SiW12O40__4-_BP86_no_TZP_no Jacobs, Jake https://iochem-bd.bsc.es/browse/handle/100/312983 2023-10-30T15:36:28Z 2023-10-30T16:33:53Z 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. 2023-10-30T16:33:53Z alpha-_SiW12O40__4-_B3LYP_no_TZP_no Jacobs, Jake https://iochem-bd.bsc.es/browse/handle/100/312982 2023-10-30T15:36:28Z 2023-10-30T16:33:50Z 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. 2023-10-30T16:33:50Z alpha-_SiW12O40__4-_BP86_Acetonitrile_TZP_no Jacobs, Jake https://iochem-bd.bsc.es/browse/handle/100/312981 2023-10-30T15:36:28Z 2023-10-30T16:33:47Z 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. 2023-10-30T16:33:47Z