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Find out how theoretical calculations are used to determine, elucidate and propose mechanisms for Pd-catalyzed C-C cross-coupling reactions in Max Garcia Melchor's outstanding thesis. Garcia Melchor investigates one of the most significant and useful types of reactions in modern organic synthesis; the Pd-cross coupling reaction. Due to its versatility, broad scope and selectivity under mild conditions, this type of reaction can now be applied in fields as diverse as the agrochemical and pharmaceutical industry. Garcia Melchor studies the reaction intermediates and transition states involved in the Negishi, the copper-free Sonogashira and the asymmetric version of Suzuki-Miyaura coupling. He also characterizes and provides a detailed picture of the associated reaction mechanisms. The author has won numerous prizes for this work which has led to over eight publications in internationally renowned journals.

Catalysts. --- Heterocyclic compounds -- Synthesis. --- Palladium catalysts. --- Chemistry --- Physical Sciences & Mathematics --- Inorganic Chemistry --- Physical & Theoretical Chemistry --- Organopalladium compounds. --- Organic reaction mechanisms. --- Mechanisms, Organic reaction --- Catalytic agents --- Palladium organic compounds --- Chemistry. --- Organic chemistry. --- Chemistry, Physical and theoretical. --- Catalysis. --- Theoretical and Computational Chemistry. --- Organic Chemistry. --- Reaction mechanisms (Chemistry) --- Catalysis --- Chemical inhibitors --- Organotransition metal compounds --- Palladium compounds --- Chemistry, Organic. --- Activation (Chemistry) --- Chemistry, Physical and theoretical --- Surface chemistry --- Organic chemistry --- Physical sciences --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Organic compounds --- Synthesis.