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
- Kannath, S.
- Adamczyk, P.
- Ferro-Costas, D.
- Fernández-Ramos, A.
- Major, D.T.
- Dybala-Defratyka, A.
ISSN: 1549-9626, 1549-9618
Year of publication: 2020
Volume: 16
Issue: 2
Pages: 847-859
Type: Article