https://iochem-bd.bsc.es/browse/handle/100/332015 Interaction_of_metal_complex_phthalocyanines_with_CO2 Wed, 08 Apr 2026 16:08:29 GMT 2026-04-08T16:08:29Z https://iochem-bd.bsc.es/browse/handle/100/332058 Title: /Acetonitrile_solvation_model/Al(pc)Cl-CO2__assembly_in_MeCN Al(pc)Cl-CO2 Authors: Nesterova, Oksana Description: Geometry optimized at the PBE0/def2-TZVP/D4/SMD level Thu, 28 Nov 2024 22:12:29 GMT https://iochem-bd.bsc.es/browse/handle/100/332058 2024-11-28T22:12:29Z https://iochem-bd.bsc.es/browse/handle/100/332057 Title: /Acetonitrile_solvation_model/Al(pc)Cl-CO2__assembly_in_MeCN Al(pc)Cl_unrelaxed_fragment Authors: Nesterova, Oksana Description: unrelaxed fragment of the Al(pc)Cl-CO2 assembly optimized at the PBE0/def2-TZVP/D4/SMD level Thu, 28 Nov 2024 22:12:26 GMT https://iochem-bd.bsc.es/browse/handle/100/332057 2024-11-28T22:12:26Z https://iochem-bd.bsc.es/browse/handle/100/332056 Title: /Acetonitrile_solvation_model/Al(pc)Cl-CO2__assembly_in_MeCN CO2_unrelaxed_fragment Authors: Nesterova, Oksana Description: unrelaxed fragment of the Al(pc)Cl-CO2 assembly optimized at the PBE0/def2-TZVP/D4/SMD level Thu, 28 Nov 2024 22:12:23 GMT https://iochem-bd.bsc.es/browse/handle/100/332056 2024-11-28T22:12:23Z https://iochem-bd.bsc.es/browse/handle/100/332055 Title: /Acetonitrile_solvation_model/Mg(pc)-CO2__assembly_in_MeCN Mg(pc)-CO2 Authors: Nesterova, Oksana Description: Geometry optimized at the PBE0/def2-TZVP/D4/SMD level Thu, 28 Nov 2024 22:12:20 GMT https://iochem-bd.bsc.es/browse/handle/100/332055 2024-11-28T22:12:20Z