https://iochem-bd.bsc.es/browse/handle/100/485732 Isomers_Ru_acac 2026-04-07T21:30:16Z 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 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- 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- 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 2026-02-06T11:12:29Z