Comparing the performances of various density functionals for modelling the mechanisms and kinetics of bimolecular free radical reactions in aqueous solution
Volume: 21, Issue: 42, Pages: 23425 - 23440
Published: Jan 1, 2019
Abstract
We systematically tested the performances of 18 density functionals for the mechanisms and kinetics of reactions of the α-hydroxyisopropyl radical with 9 organic...
Paper Details
Title
Comparing the performances of various density functionals for modelling the mechanisms and kinetics of bimolecular free radical reactions in aqueous solution
Published Date
Jan 1, 2019
Volume
21
Issue
42
Pages
23425 - 23440
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