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DFT Studies on the Antiradical Potential of Phenolic Compounds

Tingting Cao Munan Zhao Chongwei Cui

哈尔滨工业大学学报（英文版）2021，Vol.28Issue(2)：28-37,10.

哈尔滨工业大学学报（英文版）2021，Vol.28Issue(2)：28-37,10.DOI:10.11916/j.issn.1005-9113.2019053

DFT Studies on the Antiradical Potential of Phenolic Compounds

Tingting Cao ¹Munan Zhao ¹Chongwei Cui¹

作者信息

1. State Key Laboratory of Urban Water Resources Centre, School of Environment, Harbin Institute of Technology, Harbin 150090, China
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摘要

关键词

adiabatic ionization potential ( AIP)/antiradical potential/bond dissociation enthalpy ( BDE)/density functional theory ( DFT)/Fukui indices/phenolic compounds

Key words

adiabatic ionization potential ( AIP)/antiradical potential/bond dissociation enthalpy ( BDE)/density functional theory ( DFT)/Fukui indices/phenolic compounds

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资源环境

引用本文复制引用

Tingting Cao,Munan Zhao,Chongwei Cui..DFT Studies on the Antiradical Potential of Phenolic Compounds[J].哈尔滨工业大学学报（英文版）,2021,28(2):28-37,10.

基金项目

Sponsored by the Open Project of State Key Laboratory of Urban Water Resource and Environment,Harbin Institute of Technology(Grant No.HCK201804). （Grant No.HCK201804）

哈尔滨工业大学学报（英文版）

ISSN：1005-9113

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