The relaxation of the Lewis acidic site (LAS) on the (0001) 伪-Al2O3 face was studied by the semi-empirical SCF MO LCAO method within the MINDO/3 approximation with geometry optimization. The possibility of strong relaxation of the atoms was demonstrated. This rearrangement takes place due ...
Quantum-chemical investigation of the geometric structure of the Lewis acid sites of the a-Al2O3 faces (0001), (1120) (2240). L G Gorb. Journal of Molecular Catalysis A Chemical . 1995L G Gorb.Quantum-chemical investigation of the geometric structure of the Lewis acid sites of the a-...
MINDO/3 calculations of the geometrical structure of the Lewis acid site on (0001) α-Al2O3 The relaxation of the Lewis acidic site (LAS) on the (0001) 伪-Al2O3 face was studied by the semi-empirical SCF MO LCAO method within the MINDO/3 approxima... N.N. Ilchenko and L.G. ...
Lewis Structure:In chemistry, the Lewis structure is also called the Lewis dot formula. It is basically a diagram that shows the bonding between atoms as well as the lone pairs of electrons. A Lewis dot formula is a simplified representation of valence shell electrons....
JX Guinard,MJ Lewis - 《Journal of the Institute of Brewing》 被引量: 1发表: 2013年 Employment Structure,Lewis Turning Point and the Labor Share of Income:Theoretical and Empirical Analysis In the context of the labor market segmentation in China and its reaching the Lewis turning point,this...
Quantum chemical models are suggested to describe the electronic structure of surface oxygen sites terminating octahedral (AlO6) and tetrahedral (AlO4) fragments of crystalline γ-Al2O3. The former are shown to be relatively more basic. The models have been tested by H+ and pyrrole molecule....
The results showed that the pore structure and surface acidity of carrier were affected by treating time,space velocity and calcination temperature evidentially. 结果表明处理时间、空速及焙烧温度对催化剂载体的孔结构和表面酸度均有显著影响;与在空气中焙烧相比,在有水蒸气存在的条件下焙烧,载体的相对酸度由...
Composition and structure of the alpha-AlF3(0001) surface. Strong Lewis acid catalysts are widely used in a variety of industrial processes including Cl/F exchange reactions. Aluminum fluorides (AlF3) have great potential for use in such reactions. Despite the importance of the surface in the ca...
versus Al n.m.r. are due to the presence of Lewis aluminum. Furthermore, it is suggested that this Lewis aluminum may be located in the zeolite framework. These sites are not thought to be inherent to the ZSM-5 structure but are probably generated during calcination, resulting in partial ...
The design of new catalysts, especially those of known composition and structure, constitutes one of the key challenges in catalysis today. Heteropolyoxome... Fabrizio,Cavani,and,... - 《Journal of Catalysis》 被引量: 132发表: 1996年 Electrocatalysis of the reduction of O[sub 2] to H[sub...