机译:基于DFT计算阐明有机微污染物的臭氧氧化机理:以磺胺甲恶唑为例
Chinese Acad Sci, Key Lab Pollut Ecol & Environm Engn, Shenyang 110016, Peoples R China|Chinese Acad Sci, Inst Appl Ecol, Shenyang 110016, Peoples R China;
Tsinghua Univ, Sch Environm, POPs Res Ctr, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China|Tsinghua Univ, Veolia Environm Joint Res Ctr Adv Technol, Beijing 100084, Peoples R China;
Dalian Univ Technol, Sch Environm Sci & Technol, Key Lab Ind Ecol & Environm Engn MOE, Dalian 116024, Peoples R China;
Chinese Acad Sci, Key Lab Pollut Ecol & Environm Engn, Shenyang 110016, Peoples R China|Chinese Acad Sci, Inst Appl Ecol, Shenyang 110016, Peoples R China;
Chinese Acad Sci, Key Lab Pollut Ecol & Environm Engn, Shenyang 110016, Peoples R China|Chinese Acad Sci, Inst Appl Ecol, Shenyang 110016, Peoples R China;
Tsinghua Univ, Sch Environm, POPs Res Ctr, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China|Tsinghua Univ, Veolia Environm Joint Res Ctr Adv Technol, Beijing 100084, Peoples R China;
Tsinghua Univ, Sch Environm, POPs Res Ctr, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China|Tsinghua Univ, Veolia Environm Joint Res Ctr Adv Technol, Beijing 100084, Peoples R China;
Tsinghua Univ, Sch Environm, POPs Res Ctr, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China|Tsinghua Univ, Veolia Environm Joint Res Ctr Adv Technol, Beijing 100084, Peoples R China;
Tsinghua Univ, Sch Environm, POPs Res Ctr, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China|Tsinghua Univ, Veolia Environm Joint Res Ctr Adv Technol, Beijing 100084, Peoples R China;
Ozonation mechanism; Organic micropollutant; Sulfamethoxazole; Density functional theory; Gibbs free energy;
机译:通过DFT和MD计算阐明邻苯二甲酸酯在碳纳米管/石墨烯上的吸附机理以及水中天然有机酸的竞争作用
机译:阐明在陶瓷膜生物反应器中的间歇原位臭氧处理的影响:微核性去除,微生物群落演化和污垢机制
机译:结构阐明,使用DFT计算的理论研究,基于锌(Ⅱ)的新型无机-有机杂化材料的热和介电分析
机译:基于量子化学计算和反应速率理论的高温无机系统组装气相反应机制
机译:铜(II)生物无机和无机配合物EPR参数的DFT计算
机译:新的噻吩并吡嗪基小分子用于有机太阳能电池的DFT和TD-DFT计算
机译:使用DFT和TD-DFT计算的有机批量异质结太阳能器件基于Diindole的分子的计算研究
机译:microinquinanti Organici e Inorganici nell'area di mantove:studio dei Livelli ambientali。 (曼图亚地区(意大利)的有机和无机微污染物:环境水平研究。)