https://iochem-bd.bsc.es/browse/handle/100/478944 Hg_ssNMR Wed, 08 Apr 2026 07:42:10 GMT 2026-04-08T07:42:10Z 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) Wed, 01 Oct 2025 12:37:01 GMT https://iochem-bd.bsc.es/browse/handle/100/478960 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- Wed, 01 Oct 2025 12:37:02 GMT https://iochem-bd.bsc.es/browse/handle/100/478959 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) Wed, 01 Oct 2025 12:37:02 GMT https://iochem-bd.bsc.es/browse/handle/100/478958 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- Wed, 01 Oct 2025 12:37:02 GMT https://iochem-bd.bsc.es/browse/handle/100/478957 2025-10-01T12:37:02Z