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. 2018 Aug 10;23(8):1989. doi: 10.3390/molecules23081989
DFT density functional theory
HAT hydrogen atom transfer
SPLET sequential proton loss electron transfer
SET-PT single electron transfer followed by proton transfer
ArOH flavonoid
BDE bond dissociation enthalpy
IP ionization potential
PDE proton dissociation enthalpy
PA proton affinity
ETE electron transfer enthalpy
ΔrG Gibbs free energy
σ Hammett sigma constants
F field/inductive effect
R resonance effect