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Benchmarking of DFT functionals for the kinetics and mechanisms of atmospheric addition reactions of OH radicals with phenyl and substituted phenyl-based organic pollutants
Ma, Fangfang; Xie, Hong-Bin; Chen, Jingwen
刊名INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
2018
卷号118
关键词DFT functionals k(OH) values (OH)-O-center dot atmospheric addition phenyl and substituted phenyl-based persistent and toxic organic pollutants reaction mechanisms
ISSN号0020-7608
URL标识查看原文
WOS记录号[DB:DC_IDENTIFIER_WOSID]
内容类型期刊论文
URI标识http://www.corc.org.cn/handle/1471x/3271649
专题大连理工大学
作者单位Dalian Univ Technol, Sch Environm Sci & Technol, Key Lab Ind Ecol & Environm Engn, Minist Educ, Dalian 116024, Peoples R China.
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GB/T 7714
Ma, Fangfang,Xie, Hong-Bin,Chen, Jingwen. Benchmarking of DFT functionals for the kinetics and mechanisms of atmospheric addition reactions of OH radicals with phenyl and substituted phenyl-based organic pollutants[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,2018,118.
APA Ma, Fangfang,Xie, Hong-Bin,&Chen, Jingwen.(2018).Benchmarking of DFT functionals for the kinetics and mechanisms of atmospheric addition reactions of OH radicals with phenyl and substituted phenyl-based organic pollutants.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,118.
MLA Ma, Fangfang,et al."Benchmarking of DFT functionals for the kinetics and mechanisms of atmospheric addition reactions of OH radicals with phenyl and substituted phenyl-based organic pollutants".INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 118(2018).
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