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Quantum Chemical Investigations of Unimolecular and Bimolecular Reaction Barriers under Mechanochemical Conditions
Mechanochemistry, i.e. the application of external forces at the molecular level, has emerged as a significant area of research in recent years. This emergence can be attributed to the development of experimental techniques ...
Studying the Mechanochemistry of Bimolecular Reactions Using Quantum Chemical Simulations: Addition Reactions to Carbon-Carbon Double Bonds
Chemical reactions usually involve the conversion of reactants to products by overcoming an energetic barrier. Most commonly, this process can be assisted by adding energy through heat (thermochemistry), light (photochemistry) ...