Browsing Química Inorgánica by Subject "DFT calculations"
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Article
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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Article
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 ...