Role of Microsolvation and Quantum Effects in the Accurate Prediction of Kinetic Isotope Effects: The Case of Hydrogen Atom Abstraction in Ethanol by Atomic Hydrogen in Aqueous Solution

Suraj Kannath, Paweł Adamczyk, David Ferro-Costas, Antonio Fernández-Ramos, Dan Thomas Major, Agnieszka Dybala-Defratyka

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15 Scopus citations

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Chemistry

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Chemical Engineering