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清华大学 [13]
北京大学 [9]
兰州大学 [8]
山东大学 [8]
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湖南大学 [5]
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期刊论文 [70]
会议论文 [2]
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Development of a nano-QSPR model to predict band gaps of spherical metal oxide nanoparticles
期刊论文
RSC ADVANCES, 2019, 卷号: 9, 页码: 8426-8434
作者:
Wang, Jiaxing
;
Wang, Ya
;
Huang, Yang
;
Peijnenburg, Willie J. G. M.
;
Chen, Jingwen
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/02
Ecology
Energy gap
Metal nanoparticles
Metallic compounds
Quantum chemistry, Anti-bacterial activity
Experimental determination
Metal oxide nanoparticles
Potential ecological risk
Predictive abilities
Quantitative structure-property relationship models
Quantum chemistry computations
Structural descriptors, Metals
QSPR modeling of the logK(ow) and logK(oc) of polymethoxylated, polyhydroxylated diphenyl ethers and methoxylated-, hydroxylated-polychlorinated diphenyl ethers
期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2018, 卷号: 353, 页码: 542-551
作者:
Qin, Li
;
Fang, Bingxin
;
Zhang, Xuesheng
;
Cheng, Danru
;
Shi, Jiaqi
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2019/06/20
Diphenyl ethers
n-Octanol/water partition coefficient (logK(ow))
Soil sorption coefficient normalized to organic carbon (logK(oc))
Quantitative structure-property relationship
Determination of pK (a)and the corresponding structures of quinclorac using combined experimental and theoretical approaches
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2018, 卷号: 1152, 页码: 53-60
作者:
Liu, Huijuan
;
Song, Dean
;
Sun, Huiqing
;
Jiang, Xiaohua
;
Kong, Fanyu
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2019/06/24
Quinclorac
pK(a)
Spectrophotometric method
Quantitative structure property relationship method
DFT geometry optimization
QSPR modeling of the logKow and logKoc of polymethoxylated, polyhydroxylated diphenyl ethers and methoxylated-, hydroxylated-polychlorinated diphenyl ethers.
期刊论文
J Hazard Mater, 2018
作者:
Cheng D
;
Fang B.
;
Shi J
;
Qin L
;
Wang T
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/04/22
Diphenyl
ethers
Quantitative
structure-property
relationship
Soil
sorption
coefficient
normalized
to
organic
carbon
)
n-Octanol/water
partition
coefficient
)
An Improved Quantitative Structure Property Relationship Model for Predicting Thermal Conductivity of Liquid Aliphatic Alcohols
期刊论文
Journal of Chemical and Engineering Data, 2018, 卷号: Vol.63 No.12, 页码: 4735-4740
作者:
Liu, Wanqiang
;
Lu, Haixia
;
Cao, Chenzhong
;
Jiao, Yinchun
;
Chen, Guanfan
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/12/26
An Improved Quantitative Structure Property Relationship Model for Predicting Thermal Conductivity of Liquid Aliphatic Alcohols
期刊论文
Journal of Chemical & Engineering Data, 2018, 卷号: Vol.63 No.12, 页码: 4735-4740
作者:
Wanqiang Liu
;
Haixia Lu
;
Chenzhong Cao
;
Yinchun Jiao
;
Guanfan Chen
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/26
Electrochemical Oxidation of Phenolic Compounds at Boron-Doped Diamond Anodes: Structure-Reactivity Relationships
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017
Jiang, Yi
;
Zhu, Xiuping
;
Xing, Xuan
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
STRUCTURE-PROPERTY RELATIONSHIP
P-SUBSTITUTED PHENOLS
WATER-TREATMENT
ELECTRODE
DEGRADATION
ACID
CHLOROPHENOLS
CARBON
BDD
Multiobjective feature selection approach to Quantitative Structure Property Relationship (QSPR) for predicting the octane number of compounds found in gasoline
期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 253
作者:
Liu, Zhefu
;
Zhang, Linzhou
;
Elkamel, Ali
;
Zhao, Suoqi
;
Xu, Chunming
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2020/01/03
Multiobjective feature selection approach to Quantitative Structure Property Relationship (QSPR) for predicting the octane number of compounds found in gasoline
会议论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017-04-02
作者:
Liu, Zhefu
;
Zhang, Linzhou
;
Elkamel, Ali
;
Zhao, Suoqi
;
Xu, Chunming
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2020/01/03
Quantitative structure-property relationship (QSPR) study for the degradation of dye wastewater by Mo-Zn-Al-O catalyst
期刊论文
Journal of Molecular Liquids, 2016, 卷号: 215, 页码: 461-466
作者:
Xu, Yin
;
Chen, Xiao-ying
;
Li, Yang
;
Ge, Fei
;
Zhu, Run-liang
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2017/07/12
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