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. |
推荐引用方式 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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