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DFT analysis on the removal of dimethylbenzoquinones in atmosphere and water environments: ·OH-initiated oxidation and captured by (TiO2)n clusters (n=1–6)

Feng‐Yang BaiInstitute of Catalysis for Energy and Environment, College of Chemistry and Chemical Engineering, Shenyang Normal University, Shenyang, 110034, People's Republic of China. Electronic address: [email protected]Shuang NiNational & Local United Engineering Lab for Power Battery, Faculty of Chemistry, Northeast Normal University, Changchun, 130024, People's Republic of ChinaYu RenState Key Laboratory of Heavy Oil Processing, China University of Petroleum, Chang Ping, Beijing 102249, People's Republic of ChinaYizhen TangSchool of Environmental and Municipal Engineering, Qingdao Technological University, Qingdao 266033, People's Republic of ChinaZhen ZhaoInstitute of Catalysis for Energy and Environment, College of Chemistry and Chemical Engineering, Shenyang Normal University, Shenyang, 110034, People's Republic of China; State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Chang Ping, Beijing 102249, People's Republic of ChinaXiumei PanNational & Local United Engineering Lab for Power Battery, Faculty of Chemistry, Northeast Normal University, Changchun, 130024, People's Republic of China. Electronic address: [email protected]
2019en
ABI

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