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山东大学 [185]
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期刊论文 [182]
会议论文 [3]
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2019 [23]
2018 [24]
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Mechanistic studies on the dibenzofuran and dibenzo‑p‑dioxin formation reactions from anthracene
期刊论文
Science of the Total Environment, 2019, 卷号: 662, 页码: 41-47
作者:
Zhang, Ruiming
;
Zhuang, Tao
;
Zhang, Qingzhu
;
Wang, Wenxing
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/12/11
Anthracene
Density functional theory
Dibenzofuran
Dibenzo‑p‑dioxin
Formation mechanism
Harnessing fluoroacetate dehalogenase for defluorination of fluorocarboxylic acids: in silico and in vitro approach (Open Access)
期刊论文
Environment International, 2019, 卷号: 131
作者:
Li, Yanwei
;
Yue, Yue
;
Zhang, Hongxia
;
Yang, Zhongyue
;
Wang, Hui
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/12/11
Profile of inhalable bacteria in PM2.5 at Mt. Tai, China: Abundance, community, and influence of air mass trajectories
期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2019, 卷号: 168, 页码: 110-119
作者:
Xu, Caihong
;
Wei, Min
;
Chen, Jianmin
;
Zhu, Chao
;
Li, Jiarong
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/11
Bioaerosol
PM
Air mass origin
Diversity
PM2.5-bound polycyclic aromatic hydrocarbons (PAHs) and nitrated PAHs (NPAHs) in rural and suburban areas in Shandong and Henan Provinces during the 2016 Chinese New Year's holiday
期刊论文
Environmental Pollution, 2019, 页码: 782-791
作者:
Zhang, Junmei
;
Yang, Lingxiao
;
ric
;
Courcot, Dominique
;
Mellouki, Abdelwahid
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/11
Catalytic Mechanism for 2,3-Dihydroxybiphenyl Ring Cleavage by Nonheme Extradiol Dioxygenases BphC: Insights from QM/MM Analysis
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 10, 页码: 2244-2253
作者:
Wang, Junjie
;
Chen, Jinfeng
;
Tang, Xiaowen
;
Li, Yanwei
;
Zhang, Ruiming
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/12/11
A density functional theory study of the molecular interactions between a series of amides and sulfuric acid
期刊论文
CHEMOSPHERE, 2019, 卷号: 214, 页码: 781-790
作者:
Ma, Xiaohui
;
Sun, Yanhui
;
Huang, Zixiao
;
Zhang, Qingzhu
;
Wang, Wenxing
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2019/12/11
Amides
Clusters
Hydrogen bond
Evaporation rate
Seasonal variations of NPAHs and OPAHs in PM2.5 at heavily polluted urban and suburban sites in North China: Concentrations, molecular compositions, cancer risk assessments and sources
期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2019, 卷号: 178, 页码: 58-65
作者:
Li, Jingshu
;
Yang, Lingxiao
;
Gao, Ying
;
Jiang, Pan
;
Li, Yanyan
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2019/12/11
NPAHs
OPAHs
PMF
PSCF
Risk assessment
Effect of F, Cl, Br and I substitution on the BphB enzyme for the degradation of halogenated biphenyls, revealed by quantum and molecular mechanics
期刊论文
ENVIRONMENTAL CHEMISTRY LETTERS, 2019, 卷号: 17, 期号: 2, 页码: 1167-1173
作者:
Zhang, Ruiming
;
Zhuang, Tao
;
Zhang, Qingzhu
;
Wang, Wenxing
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/11
Quantum mechanics
molecular mechanics
Polyhalogenated biphenyls
Metabolites
Dehydrogenation
Electrostatic influence
Theoretical study on the atmospheric oxidation reaction of 2-furanaldehyde initiated by NO3 radicals
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 722, 页码: 50-57
作者:
Huang, Zixiao
;
Zhao, Nan
;
Ma, Xiaohui
;
Xu, Fei
;
Zhang, Qingzhu
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2019/12/11
Furanaldehydes
Atmospheric oxidation
Reaction mechanism
Rate
constants
Mechanistic studies on the dibenzofuran and dibenzo-p-dioxin formation reactions from anthracene
期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2019, 卷号: 662, 页码: 41-47
作者:
Zhang, Ruiming
;
Zhuang, Tao
;
Zhang, Qingzhu
;
Wang, Wenxing
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/12/11
Dibenzofuran
Dibenzo-p-dioxin
Anthracene
Formation mechanism
Density
functional theory
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