Browse Collection: DIPyPBu3_Adduct https://iochem-bd.bsc.es/browse/handle/100/305226 DIPyPBu3_Adduct Tue, 07 Apr 2026 18:35:20 GMT 2026-04-07T18:35:20Z Me3Si+_gas_opt https://iochem-bd.bsc.es/browse/handle/100/305318 Title: Me3Si+_gas_opt Authors: Mulks, Florian Description: Optimisation at the PBEh-3c/def2-mSVP level of theory Mon, 24 Jul 2023 19:28:50 GMT https://iochem-bd.bsc.es/browse/handle/100/305318 2023-07-24T19:28:50Z Me3Si+_gas_hess https://iochem-bd.bsc.es/browse/handle/100/305317 Title: Me3Si+_gas_hess Authors: Mulks, Florian Description: Frequency calculation at the PBEh-3c/def2-mSVP level of theory Mon, 24 Jul 2023 19:28:19 GMT https://iochem-bd.bsc.es/browse/handle/100/305317 2023-07-24T19:28:19Z Me3Si+_gas_sp https://iochem-bd.bsc.es/browse/handle/100/305316 Title: Me3Si+_gas_sp Authors: Mulks, Florian Description: Single point at the DSD-BLYP-D3BJ/def2-QZVPP level of theory Mon, 24 Jul 2023 19:26:19 GMT https://iochem-bd.bsc.es/browse/handle/100/305316 2023-07-24T19:26:19Z Me3Si+_mecn_opt https://iochem-bd.bsc.es/browse/handle/100/305315 Title: Me3Si+_mecn_opt Authors: Mulks, Florian Description: Optimisation at the PBEh-3c/def2-mSVP/CPCM(MeCN) level of theory Mon, 24 Jul 2023 19:26:13 GMT https://iochem-bd.bsc.es/browse/handle/100/305315 2023-07-24T19:26:13Z