https://iochem-bd.bsc.es/browse/handle/100/478944 Hg_ssNMR 2026-04-08T01:11:43Z https://iochem-bd.bsc.es/browse/handle/100/478960 Title: Comp2_CASTEP_ZORA Authors: Novotny, Jan Abstract: ZORA-PBE optimization and NMR calculation on compound2( 1xHg(dotam) + 3xHgCl_n) 2025-10-01T12:37:01Z https://iochem-bd.bsc.es/browse/handle/100/478959 Title: Comp2_CASTEP Authors: Novotny, Jan Abstract: PBE optimization and NMR calculation on compound2( 1xHg(dotam) + 3xHgCl_n), output ReSpect/PBE0 single-point and NMR for components 31_2+, 31_2- 2025-10-01T12:37:02Z https://iochem-bd.bsc.es/browse/handle/100/478958 Title: Comp1_CASTEP_ZORA Authors: Novotny, Jan Abstract: ZORA-PBE optimization and NMR calculation on compound1( 2xHg(dotam) + 2xHgCl4) 2025-10-01T12:37:02Z https://iochem-bd.bsc.es/browse/handle/100/478957 Title: Comp1_CASTEP_RESPECT Authors: Novotny, Jan Abstract: PBE optimization and NMR calculation on compound1( 2xHg(dotam) + 2xHgCl4), output ReSpect/PBE0 single-point and NMR for components 2+ and 2- 2025-10-01T12:37:02Z