Browse Collection: DIPyPBu3_Adduct DIPyPBu3_Adduct https://iochem-bd.bsc.es/browse/handle/100/305226 2026-04-07T22:08:38Z 2026-04-07T22:08:38Z Me3Si+_gas_opt Mulks, Florian https://iochem-bd.bsc.es/browse/handle/100/305318 2023-08-09T11:09:58Z 2023-07-24T19:28:50Z Title: Me3Si+_gas_opt Authors: Mulks, Florian Description: Optimisation at the PBEh-3c/def2-mSVP level of theory 2023-07-24T19:28:50Z Me3Si+_gas_hess Mulks, Florian https://iochem-bd.bsc.es/browse/handle/100/305317 2023-08-09T11:09:58Z 2023-07-24T19:28:19Z Title: Me3Si+_gas_hess Authors: Mulks, Florian Description: Frequency calculation at the PBEh-3c/def2-mSVP level of theory 2023-07-24T19:28:19Z Me3Si+_gas_sp Mulks, Florian https://iochem-bd.bsc.es/browse/handle/100/305316 2023-08-09T11:09:58Z 2023-07-24T19:26:19Z Title: Me3Si+_gas_sp Authors: Mulks, Florian Description: Single point at the DSD-BLYP-D3BJ/def2-QZVPP level of theory 2023-07-24T19:26:19Z Me3Si+_mecn_opt Mulks, Florian https://iochem-bd.bsc.es/browse/handle/100/305315 2023-08-09T11:09:58Z 2023-07-24T19:26:13Z Title: Me3Si+_mecn_opt Authors: Mulks, Florian Description: Optimisation at the PBEh-3c/def2-mSVP/CPCM(MeCN) level of theory 2023-07-24T19:26:13Z