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Computational Insights into Catalytic Transformations

Computational Insights into Catalytic Transformations

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ISBN: 9780443313349
Published: 2024
Publisher: Academic Press
Language: English
Format: Hardback
Format: 9×6

Description

<i>Computational Insights into Catalytic Transformations, Volume 75</i> in the <i>Advances in Catalysis</i> series, highlights new advances in the field, with this new volume presenting interesting chapters on topics including Quantum Chemical Investigations on Electrophilic F/CF3/SCF3 Transfer Hypervalent Iodine Reagents, Combining DFT and experimental studies in enantioselective catalysis. From rationalization to prediction, Molecular Modelling of encapsulation and reactivity within metallocages, On the role of computational chemistry in the design of artificial metalloenzymes, and Computational Modelling of Catalytic Oxidation Reactions with H2O2 promoted by transition metal-substituted polyoxometalates.

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