Theoretical study on the mechanisms and kinetics of Cl-initiated oxidation of methyl acrylate (English)
- New search for: Zhang, Shiqing
- New search for: Cao, Haijie
- New search for: Li, Xin
- New search for: Sun, Jianfei
- New search for: He, Maoxia
- New search for: Zhang, Shiqing
- New search for: Cao, Haijie
- New search for: Li, Xin
- New search for: Sun, Jianfei
- New search for: He, Maoxia
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Theoretical study on the mechanisms and kinetics of Cl-initiated oxidation of methyl acrylate
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Contributors:Zhang, Shiqing ( author ) / Cao, Haijie ( author ) / Li, Xin ( author ) / Sun, Jianfei ( author ) / He, Maoxia ( author )
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Publisher:
- New search for: Elsevier B.V.
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Publication date:2016-07-08
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Size:8 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 1091
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Theoretical investigations of tautomeric equilibrium of 9-methyl-8-aza-iso-Guanine and its electrostatic propertiesPyrka, Maciej / Maciejczyk, Maciej et al. | 2016
- 8
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MesoDyn simulation study of phase behavior for dye–polyether derivatives in aqueous solutionsZhang, Bin / Liu, Rongzhan / Zhang, Jianbo / Liu, Baojiang / He, Jinxin et al. | 2016
- 18
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Bond dissociation energies and enthalpies of formation of flavonoids: A G4 and M06-2X investigationAlvareda, Elena / Denis, Pablo A. / Iribarne, Federico / Paulino, Margot et al. | 2016
- 24
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MP2 and DFT studies of β-d-neocarrabiose and β-d-neocarrabiose monohydrateBestaoui-Berrekhchi-Berrahma, N. / Sekkal-Rahal, M. / Derreumaux, P. / Yousfi, N. et al. | 2016
- 31
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DFT calculations of ammonia oxidation reactions on bimetallic clusters of platinum and iridiumEstejab, Ali / Botte, Gerardine G. et al. | 2016
- 41
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Ground and excited states of neutral and cationic thieno[3,2-b]thiophene: A DFT studyDeka, Bhabesh Chandra / Purkayastha, Siddhartha Kr. / Sharma, Himakshi / Bhattacharyya, Pradip Kr. et al. | 2016
- 49
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The low-lying singlet electronic excited states of HfO2: A symmetry adapted cluster–configuration interaction (SAC-CI) studyChou, Yung-Ching et al. | 2016
- 57
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The structural response to pressure of energetic crystal 1,3-Diamino-2,4,6-trinitrobenzene: Density functional theory calculations and Hirshfeld surfaces analysisWang, Wen-Peng / Liu, Fu-Sheng / Liu, Qi-Jun / Wang, Yi-Gao / Jiao, Zhen / Li, Yong / Liu, Zheng-Tang et al. | 2016
- 64
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A density functional theory study of novel catalysts for the “green” synthesis of aziridinesGuan, Carolyn S. / Cundari, Thomas R. et al. | 2016
- 72
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A computational study on the surface modification of BN nanocluster by para-substituted styreneAslanzadeh, Saeed Amir et al. | 2016
- 78
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DFT study of the 1-aryl-1-fluoro-5-methylquasisilatrane stereoisomers. NBO and QTAIM analysisAksamentova, Tamara N. / Chipanina, Nina N. / Grebneva, Ekaterina A. / Timofeeva, Elena N. / Bolgova, Yuliya I. / Trofimova, Olga M. et al. | 2016
- 85
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Spin-dependent transport properties in covalent–organic molecular device with graphene nanoribbon electrodesChen, Wei / Mao, Weiwei / Bian, Baoan / Xu, Ning / Chen, Runfeng / Li, Xing-ao / Wang, Lianhui et al. | 2016
- 92
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A theoretical research on pyrolysis reactions mechanism of coumarone-contained lignin model compoundHuang, Jinbao / He, Chao / Pan, Guiying / Tong, Hong et al. | 2016
- 99
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Theoretical study on the mechanisms and kinetics of Cl-initiated oxidation of methyl acrylateZhang, Shiqing / Cao, Haijie / Li, Xin / Sun, Jianfei / He, Maoxia et al. | 2016
- 107
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A DFT based investigation of NO oxidation by (CrO3)3 clusterKumari, Indu / Gupta, Shuchi / Goel, Neetu et al. | 2016
- 115
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DFT study of Li+ and Na+ positions in mordenites and hydration stabilityde S. Vilhena, Felipe / Serra, Ramiro M. / Boix, Alicia V. / Ferreira, Glaucio B. / de M. Carneiro, José Walkimar et al. | 2016
- 122
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Theoretical investigation of electron structure and surface morphology of titanium dioxide anatase nano-particlesGrishina, Maria / Bolshakov, Oleg / Potemkin, Andrey / Potemkin, Vladimir et al. | 2016
- 137
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Cluster ions in saturated vapor over barium difluoride: Structure and thermodynamic propertiesJacob, Fortunatus / Pogrebnoi, Alexander M. / Pogrebnaya, Tatiana P. et al. | 2016
- 150
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Generation of C7H7 + cations with isomerization reactionsKharnaior, Kiew Shaphrang / Devi, Martina / Duncan Lyngdoh, R.H. et al. | 2016
- 165
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Effect of titanium on adsorption of hydrogen in β-cyclodextrinZhou, Caihua / Guo, Yijun / Zhu, Haiyan / Fan, Guang et al. | 2016
- 169
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CBS-Q and DFT calculations of lithium and sodium cations affinities and basicities of 60 organic moleculesValadbeigi, Younes et al. | 2016
- 176
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In silico study to evaluate the governing criteria in the BF3 catalyzed Diels-Alder reactionGhadari, Rahim et al. | 2016
- IFC
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Editorial Board| 2016