DFT data, Reactivities of Hydroxycinnamic Acid Derivatives Involving Caffeic Acid toward Electrogenerated Superoxide in N,N-Dimethylformamide

Name: DFT data, Reactivities of Hydroxycinnamic Acid Derivatives Involving Caffeic Acid toward Electrogenerated Superoxide in N,N-Dimethylformamide
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Mendeley Data2026-04-09 收录

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DFT data for this study was calculated using the Becke three-parameter Lee–Yang–Parr (B3LYP) functional implemented in the Gaussian 16 Program package.