DFT data, A Theoretical Study of the Reactivity of 5- Fluorouracil toward Superoxide Radical Anion and Hydroperoxyl Radical
收藏Mendeley Data2026-04-09 收录
官方服务：
资源简介：
DFT data for this study was calculated using with two hybrid functionals, the Becke three-parameter Lee–Yang–Parr (B3LYP) and the meta exchange-correlated functional (Minnesota 06, M06-2X), implemented in the Gaussian 16 Program package.
