Browse Collection: Hg_ssNMR
Hg_ssNMR
https://iochem-bd.bsc.es/browse/handle/100/478944
2026-04-08T01:11:48Z
2026-04-08T01:11:48Z
Comp2_CASTEP_ZORA
Novotny, Jan
https://iochem-bd.bsc.es/browse/handle/100/478960
2025-10-01T10:39:01Z
2025-10-01T12:37:01Z
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
Comp2_CASTEP
Novotny, Jan
https://iochem-bd.bsc.es/browse/handle/100/478959
2025-10-01T10:39:01Z
2025-10-01T12:37:02Z
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
Comp1_CASTEP_ZORA
Novotny, Jan
https://iochem-bd.bsc.es/browse/handle/100/478958
2025-10-01T10:39:01Z
2025-10-01T12:37:02Z
Title: Comp1_CASTEP_ZORA
Authors: Novotny, Jan
Abstract: ZORA-PBE optimization and NMR calculation on compound1( 2xHg(dotam) + 2xHgCl4)
2025-10-01T12:37:02Z
Comp1_CASTEP_RESPECT
Novotny, Jan
https://iochem-bd.bsc.es/browse/handle/100/478957
2025-10-01T10:39:01Z
2025-10-01T12:37:02Z
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