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Showing 1 to 1 of 1 for “"transition state modelling"”.
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Asymmetric Catalysis with Brønsted Acids: Experiments and Calculations
… investigations were conducted. Molecular modelling focused on accounting for the stereochemical output of an enantioselective aza-Darzens reaction that uses a bulky chiral BINOL-based phosphoric acid. For such, hybrid Quantum Mechanics / Molecular Mechanics methods—mostly the ONIOM …