A Statistically Supported Antioxidant Activity DFT Benchmark—The Effects of Hartree–Fock Exchange and Basis Set Selection on Accuracy and Resources Uptake

. 2021 Aug 20;26(16):5058. doi: 10.3390/molecules26165058

BDE	$A n t i o x i d a n t - O H \to A n t i o x i d a n t - O^{•} + H^{•}$
IP	$A n t i o x i d a n t - O H \to {[A n t i o x i d a n t - O H]}^{• +} + e^{-}$
EA	$A n t i o x i d a n t - O H + e^{-} \to {[A n t i o x i d a n t - O H]}^{• -}$
PA	$A n t i o x i d a n t - O H \to A n t i o x i d a n t - O^{-} + H^{+}$