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

Published: 24 October 2024| Version 1 | DOI: 10.17632/g9x22v4f89.1
Contributor:
tatsushi nakayama

Description

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

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Institutions

Gifu Yakka Daigaku

Categories

Density Functional Theory

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