DFT data, Effect of phenyl substituent of hydroquinone on proton-coupled electron transfer
收藏DataCite Commons2025-04-04 更新2025-04-16 收录
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https://data.mendeley.com/datasets/mk9b463n6w/1
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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 Tao–Perdew–Staroverov–Scuseria hybrid meta-GGA (TPSSh) functionals implemented in the Gaussian 16 Program package.
提供机构：
Mendeley Data
创建时间：
2025-03-24
