https://iochem-bd.bsc.es/browse/handle/100/485732 Isomers_Ru_acac Tue, 07 Apr 2026 18:17:59 GMT 2026-04-07T18:17:59Z https://iochem-bd.bsc.es/browse/handle/100/485761 Title: PLANAR_EQ1_Orca_SP Authors: Novotny, Jan Abstract: single-point on planar transition state of EQ1 Fri, 06 Feb 2026 11:12:29 GMT https://iochem-bd.bsc.es/browse/handle/100/485761 2026-02-06T11:12:29Z https://iochem-bd.bsc.es/browse/handle/100/485760 Title: DIA_AX1_Orca_OPT Authors: Novotny, Jan Abstract: OPT calculation on diamagnetic Ru(II)-AX1- Fri, 06 Feb 2026 11:12:29 GMT https://iochem-bd.bsc.es/browse/handle/100/485760 2026-02-06T11:12:29Z https://iochem-bd.bsc.es/browse/handle/100/485759 Title: DIA_EQ1_Orca_OPT Authors: Novotny, Jan Abstract: OPT calculation on diamagnetic Ru(II)-EQ1- Fri, 06 Feb 2026 11:12:29 GMT https://iochem-bd.bsc.es/browse/handle/100/485759 2026-02-06T11:12:29Z https://iochem-bd.bsc.es/browse/handle/100/485758 Title: EQ1-Br_Orca_TDDFT Authors: Novotny, Jan Abstract: UKS/PBE0/def2-TZVPP/COSMO TD-DFT calculation on EQ1-Br Fri, 06 Feb 2026 11:12:29 GMT https://iochem-bd.bsc.es/browse/handle/100/485758 2026-02-06T11:12:29Z