ListarArtículos (Instituto de Investigaciones Químicas (IIQ) – CIC Cartuja) por materia "DFT calculations"
Mostrando ítems 1-4 de 4
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Bonding Situation of σ-E−H Complexes in Transition Metal and Main Group Compounds
(Wiley-Blackwell, 2022)The ambiguous bonding situation of σ-E−H (E=Si, B) complexes in transition metal compounds has been rationalized by means ...
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Important Role of NH-Carbazole in Aryl Amination Reactions Catalyzed by 2-Aminobiphenyl Palladacycles
(American Chemical Society, 2023)2-Aminobiphenyl palladacycles are among the most successful precatalysts for Pd-catalyzed cross-coupling reactions, including ...
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Mechanistic Studies on the Selective Reduction of CO2 to the Aldehyde Level by a PBP-Supported Nickel Complex
(American Chemical Society, 2016)This work describes a thorough investigation of the mechanism of a highly selective hydrosilylation of CO2 to the formaldehyde ...
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Preparation of Chitosan-supported Urea Materials and their Application in Some Organocatalytic Procedures
(Elsevier, 2018)An efficient and mild procedure was developed for the preparation of three chitosan-supported ureas containing ...