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兰州大学 [17]

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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
	Correlation between C NMR chemical shifts and complete sets of descriptors of natural coumarin derivatives 期刊论文 Chemometrics and Intelligent Laboratory Systems, 2019, 卷号: Vol.184, 页码: 167-174 作者: Xinliang Yu; Lisha Xu 收藏 \| 浏览/下载：15/0 \| 提交时间：2019/12/13 Complete set Density functional theory NMR chemical shifts Quantitative structure-property relationship Coumarin derivatives Support vector machine
	Correlation between 13C NMR chemical shifts and complete sets of descriptors of natural coumarin derivatives. 期刊论文 Chemometrics & Intelligent Laboratory Systems, 2019, 卷号: Vol.184, 页码: 167-174 作者: Yu, Xinliang; Xu, Lisha; Zhu, Yali; Lu, Shuo; Dang, Limin 收藏 \| 浏览/下载：10/0 \| 提交时间：2019/12/13 Complete set Coumarin derivatives Density functional theory NMR chemical shifts Quantitative structure-property relationship Support vector machine
	Control comparison of extractive distillation with two different solvents for separating acetone and tetrahydrofuran 期刊论文 PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, 2019, 卷号: 125, 页码: 16-30 作者: Zhu, Zhaoyou; Geng, Xueli; Li, Guoxuan; Yu, Xiaopeng; Wang, Yinglong 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/12/11 Process control Extractive distillation Quantitative structure property relationship Modelling and simulation studies
	A review of extractive distillation from an azeotropic phenomenon for dynamic control 期刊论文 CHINESE JOURNAL OF CHEMICAL ENGINEERING, 2019, 卷号: 27, 期号: 7, 页码: 1510-1522 作者: Ma, Yixin; Cui, Peizhe; Wang, Yongkun; Zhu, Zhaoyou; Wang, Yinglong 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/12/11 Thermodynamic Quantitative Structure-property relationship Solvent selection Process design Energy conservation Dynamic control
	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：29/0 \| 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：34/0 \| 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 )
	Correlation between C NMR chemical shifts and complete sets of descriptors of natural coumarin derivatives 期刊论文 Chemometrics and Intelligent Laboratory Systems, 2018 作者: Xinliang Yu; Lisha Xu; Yali Zhu; Shuo Lu; Limin Dang 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/12/26 Complete set Density functional theory NMR chemical shifts Quantitative structure-property relationship Coumarin derivatives Support vector machine
	Analytical methodology for identification of novel per- and polyfluoroalkyl substances in the environment 期刊论文 TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 2017, 卷号: 95, 期号: 0, 页码: 122-131 作者: Ruan, Ting; Jiang, Guibin 收藏 \| 浏览/下载：17/0 \| 提交时间：2018/07/26 Per- And Polyfluoroalkyl Substances Unidentified Organofluorine Component Emerging Contaminant High-resolution Mass Spectrometry Persistent Quantitative Structure-property Relationship Bio-accumulative And Toxic Chemicals Mass Balance Transformation Non-target Screening

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