TY - CHAP AU - Mu, Manting AU - Peñas de Frutos, Marconi Nicolás AU - García Melchor, Max PY - 2024 SN - 978-0-443-18890-9 UR - https://uvadoc.uva.es/handle/10324/67704 AB - Bimetal lic reagents fea tur ing one main-group el e ment and a first-row tran si tion metal cen tre have been the fo cus of ex ten sive re search due to their nu mer ous ap pli ca tions. In par tic u lar, the re gios e lec tive ac ti va tion of C–H... LA - eng PB - Elsevier KW - Bimetallic complexes KW - C-H metallation KW - Ion-pairs KW - Donor effects KW - Ligand scrambling KW - Solvent effects KW - Density functional theory KW - Reaction mechanisms KW - Noncovalent interaction analysis KW - Electronic structure KW - Microkinetic modelling TI - Challenges in the computational modelling of bimetallic C–H activation processes ER -