DFT data, Effect of phenyl substituent of hydroquinone on proton-coupled electron transfer
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DFT data was calculated using the Becke three-parameter Lee–Yang–Parr (B3LYP), Minnesota 06 (M06-2X), and Tao–Perdew–Staroverov–Scuseria hybrid meta-GGA (TPSSh) functionals implemented in the Gaussian 16 Program package.
