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Elsevier电子期刊(700)

在“Elsevier电子期刊”中，命中：700条，耗时：小于0.01 秒

在所有数据库中总计命中：700条

1.A quantum chemical study of molecular properties and QSPR modeling of oximes, amidoximes and hydroxamic acids with nucleophilic activity against toxic organophosphorus agents

作者：Edilson B. Alencar Filho^a ; ^{edilson.beserra@univasf.edu.br} ; Aline A. Santos^a ; Boaz G. Oliveira^b

关键词：α-nucleophiles ; Organophosphorus poisoning ; Intramolecular hydrogen bond ; B3LYP ; QTAIM ; QSPR

刊名：Journal of Molecular Structure

出版年：2017

2.Exploring MIA-QSPR's for the modeling of biomagnification factors of aromatic organochlorine pollutants

作者：Estella G. da Mota ; Mariene H. Duarte ; Stephen J. Barigye ; Teodorico C. Ramalho ; Matheus P. Freitas ; ^{matheus@dqi.ufla.br" class="auth_mail" title="E-mail the corresponding author}

关键词：aug ; augmented ; MIA ; Multivariate image analysis ; QSPR ; Quantitative Structure-Property Relationships ; BMF ; biomagnification ; PCB ; polychlorinated biphenyls

刊名：Ecotoxicology and Environmental Safety

出版年：2017

3.The QSPR models to predict the solubility of CO₂ in ionic liquids based on least-squares support vector machines and genetic algorithm-multi linear regression

作者：Iliad Mehraein ; Siavash Riahi ; ^{riahi@ut.ac.ir}

关键词：Ionic liquids ; Solubility ; Carbon dioxide ; QSPR ; Multi-linear regression ; Support vector machines

刊名：Journal of Molecular Liquids

出版年：2017

4.Gibbs energy additivity approaches to QSPR in modeling of high pressure density and kinematic viscosity of FAME and biodiesel

作者：Thinnaphop Chum-in^a ; Kaokanya Sudaprasert^a ; Suriya Phankosol^b ; Supathra Lilitchan^c ; Kornkanok Aryusuk^d ; Kanit Krisnangkura^d ; ^{kanit.kri@kmutt.ac.th}

关键词：Biodiesel ; Density ; Fatty acid methyl ester ; Gibbs energy ; Kinematic viscosity ; Model ; Pressure

刊名：Fuel Processing Technology

出版年：2017

5.Which structural features stand behind micelization of ionic liquids? Quantitative Structure-Property Relationship studies

作者：Maciej Barycki ; Anita Sosnowska ; Tomasz Puzyn ; ^{t.puzyn@qsar.eu.org" class="auth_mail" title="E-mail the corresponding author}

关键词：QSPR ; Quantitative Structure-Property Relationship ; IL ; ionic liquid ; CMC ; critical micelization concentration ; GETAWAY ; GEometry ; Topology ; and Atom-Weights AssemblY descriptors ; IFT ; interferential tension measurement ; ST ; surface tension measurement ; EC ; electric conductivity measurement ; GA ; Genetic Algorithm ; MLR ; Multiple Linear Regression ; R2/Q2 ; determination coefficient ; CCC ; Concordance Correlation Coefficient ; RMSE ; Root Mean Square Error ; MAE ; Mean Average Error ; AD ; applicability do

刊名：Journal of Colloid and Interface Science

出版年：2017

6.Rhamnolipid CMC prediction

作者：I.E. Kłosowska-Chomiczewska^a ; K. Mędrzycka^a ; E. Hallmann^a ; E. Karpenko^b ; T. Pokynbroda^b ; A. Macierzanka^a ; C. Jungnickel^a ; ^{christian.jungnickel@pg.gda.pl}

关键词：Biosurfactant ; Rhamnolipid ; CMC ; Purity ; Prediction ; QSPR

刊名：Journal of Colloid and Interface Science

出版年：2017

7.Quantitative structure-property relationships for predicting sorption of pharmaceuticals to sewage sludge during waste water treatment processes

作者：L. Berthod^a ; ^b ; D.C. Whitley^b ; ^{david.whitley@port.ac.uk} ; G. Roberts^a ; ¹ ; A. Sharpe^a ; ² ; R. Greenwood^c ; G.A. Mills^b

关键词：Pharmaceuticals ; Sewage sludge ; Sorption ; Partition coefficient ; Quantitative structure-property relationship (QSPR) ; Artificial neural networks

刊名：Science of The Total Environment

出版年：2017

8.Insight into pressure-swing distillation from azeotropic phenomenon to dynamic control

作者：Shisheng Liang ; Yujuan Cao ; Xingzhen Liu ; Xin Li ; Yongteng Zhao ; Yongkun Wang ; Yinglong Wang ; ^{yinglongw@126.com}

关键词：Pressure-swing distillation ; QSPR ; Process design ; Process intensification ; Dynamic control

刊名：Chemical Engineering Research and Design

出版年：2017

9.Computer-aided molecular design of water compatible visible light photosensitizers for dental adhesive

作者：Farhana Abedin^a ; ^b ; Brock Roughton^b ; Qiang Ye^a ; Paulette Spencer^a ; ^c ; Kyle Camarda^d ; ^{camarda@ku.edu}

关键词：Photosensitizer ; Dental adhesive ; QSPRs ; Optimization ; MINLP ; Connectivity indices ; Tabu Search

刊名：Chemical Engineering Science

出版年：2017

10.Prediction of flash points of pure organic compounds: Evaluation of the DIPPR database

作者：A. Alibakhshi^a ; ^b ; ^{amin.alibakhshi@hotmail.com} ; H. Mirshahvalad^c ; S. Alibakhshi^d

关键词：Flash point ; Normal boiling point ; Group contribution method ; DIPPR ; Joback method ; QSPR molecular based models

刊名：Process Safety and Environmental Protection

出版年：2017

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