DFT data for substituent effects in the degradation of pyrazine derivatives via proton-coupled electron transfer with superoxide radical anion
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资源简介：
DFT data was calculated using the Becke three-parameter Lee–Yang–Parr (B3LYP), Minnesota 06 (M06-2X), and TPSSh functionals implemented in the Gaussian 16 Program package.
创建时间：
2025-06-09
