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期刊Molecular simulations of host-guest interactions between zeolite framework STW and its organic structure-directing agents
《中国化学快报:英文版》2020年第7期1951-1955,共5页Chao Shi Lin Li Lixia Yang Yi Li 
the National Natural Science Foundation of China(Nos.21622102,21621001 and 21920102005);the National Key Research and Development Program of China(No.2016YFB0701100);the National 111 Project(No.B17020);Program for JLUSTIRT and High Performance Computing Center of Jilin University。
Zeolites have been widely applied in many chemical processes owing to their featured microporous framework structures.Organic structure-directing agents(OSDAs) play an important role during of the formation of zeolite...显示全部
关键词:Zeolite STW Organic structure-directing agent Molecular simulation Host-guest interaction Rational synthesis 
期刊Self-assembly, geometric and electronic structures, and structure-directing properties of organic-inorganic hybrid salt containing [WO<sub>2</sub>F<sub>4</sub>]<sup>2&#xa0;?</sup> anions and protonated 2-(2-hydroxyphenyl)benzimidazole cations
《Inorganic Chemistry Communications》Zhen Jina, Run-Zhi Tana, Yi-Ping Tonga, typ2469@163.com, Xiao-Dan Zhenga, Yan-Wen Linb
One new organic-inorganic hybrid solid salt, [(pbmH)<sub>2</sub>] [WO<sub>2</sub>F<sub>4</sub>] (<strong class='boldFont'>1</strong>) (pbm&#xA0;=&#xA0;2-...显示全部
关键词:structure-directing  Crystal structure  Calculation  Electronic structure  DFT  Tungsten oxide fluoride 
期刊The structure-directing effect of n-propylamine in the crystallization of open-framework aluminophosphates
《中国科学:化学英文版》2014年第1期127-134,共8页LU HuiYing YAN Yan TONG XiaoQiang YAN WenFu YU JiHong XU RuRen 
supported by the National Natural Science Foundation of China(21171063);the Excellent Young Scientists Fund(21222103);the National Basic Research Program of China(2011CB808-703);the Specialized Research Fund for the Doctoral Program of Higher Education
Using n-propylamine as a template,deioned water and secondary-butanol(butan-2-ol)as solvents,a three-dimensional(3D)open-framework aluminophosphate[C3NH10]·[HAl3P3O13](1)and a two-dimensional layered aluminophosp...显示全部
关键词:zeolite aluminophosphate open-framework hydro solvothermal synthesis structure-directing EFFECT 
期刊Self-assembly, geometric and electronic structures, and structure-directing properties of organic-inorganic hybrid salt containing [WO2F4](2-) anions and protonated 2-(2-hydroxyphenyl)benzimidazole cations
《INORGANIC CHEMISTRY COMMUNICATIONS》Jin, Zhen[1];Tan, Run-Zhi[1];Tong, Yi-Ping[1];Zheng, Xiao-Dan[1];Lin, Yan-Wen[2]
One new organic-inorganic hybrid solid salt, [(pbmH)(2)] [WO2F4] (1) (pbm = 2-(2-hydroxyphenyl)benzimidazole), containing tungsten oxide fluoride anion [WO2F4](2-), and organic cation, pbmH(+), has been synthesized vi...显示全部
关键词:structure-directing  Crystal structure  Calculation  Electronic structure  DFT  Tungsten oxide fluoride 
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