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 |