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Yang, The Journal of Physical Chemistry C 115 (2011) 10080-10086
Huang, Pure and Applied Chemistry 83 (2010) 95-110
Li, Journal of Solid State Chemistry 180 (2007) 654-660
Shen, Journal of Materials Chemistry 22 (2012) 1673-1678
Yao, The Journal of Physical Chemistry C 112 (2008) 8192-8195

Margitfalvi1, c 1 Chemical Research Center, Institute of Surface Chemistry and Catalysis, Hungarian Academy of Sciences, Pusztaszeri út 59-67, 1025 Budapest, Hungary.
a somodi@chemres.hu, b borbath@chemres.hu, c joemarg@chemres.hu Keywords: supported gold nanoparticles, gold catalysts, surface organometallic chemistry, TEM, XRD, seed mediated growth of gold Abstract.
The deeper understanding of effect of tin, the appearance of oscillation in the TPO curves and the structure of active sites is the aim of our further investigations.
[20] CRC Handbook of Chemistry and Physics, Editor in chief David R.
A: Chemistry Vol. 140 (2001) p. 75

Through this change was obtained in structure and the properties of the powder.
Chemistry for Sustainable Development. 1-2 (2002) 219-225
Ristić, Influence of Mechanical Activation on Microstructure and Crystal Structure of Sintered MgO-TiO2 System, J.
Dolmatov, Structure and mechanical properties of sintered materials of Fe-Si, obtained from mechanically activated powders in air, J.
Physics and chemistry of materials processing. 5 (2011) 56-62

Ionic liquids (ILs) have been receiving a great deal of attention in the development of new “green” technologies, because they have potential nonvolatility, nonflammability, low melting point, and high thermal stability, and hence create a cleaner and more sustainable chemistry.[1,2] Those properties of the ionic liquids have been primarily explored for applications in electrochemistry technologies and as solvents in electronic absorption spectroscopy for highly charged complex ions with high- or low-oxidation states.[3] The ionic liquids have been used as media for the clean liquid-liquid extraction processes,[4] as recyclable alternatives to aprotic solvents or catalysts for organic and organometallic synthesis,[5,6] catalytic cracking of polyethylene, and radical polymerization, and as media for analytical and physical chemistry as well.[7-9] At the same time, some ionic liquids have also been focused on as environmentally friendly lubricants.[10,11] And a primary investigation in our
The molecular structure of the final target compounds is given in Scheme 2.
The good tribological performance of the dithiocarbazate-containing ionic liquids can be attributed to their unique chemical structures.
Rodriguez: Green Chemistry, Vol. 11(2009), p. 346

The structure of compound metal oxide LiMn0.75Ti0.5O3crystallized at 800℃ was much perfect.
As shown, the structure of LiMnTi-800(H) is nearly constant, which is inverse spinel oxide type too.
LiMn2O4 doped elements on the structure and properties [J].
Chemistry Online. 1997,(12),11-16 [3] Sheng Yuan Jun, Zhi Yong Ji.
Journal of Physics and Chemistry of Solids , 2007, 68: 780-784.

The stability of the ground state structure have been studied.
Introduction With the continuous development of fullerene, dimer molecules, the model of polymer science, nano structure and supramolecular chemistry, have been widely studied in recent years.
This paper is the study of the structure and stability of small C20 dimer with density functional theory.
We got the stable configuration of C20 dimer through optimizing its structure at B3LYP/LANL2DZ level.We knew that they don’t have imaginary frequency after analyzing the frequency of the optimized structures.We got the stable structure of C20 dimer and determined the basic structure of clusters based on their energy at the premise of considering their spin multiplicity.
Figure 1 is a ground-state structure of optimized C20 dimer, based on a bonded structure of [5,5] a-[5,5].It was formed by opening two parallel double bond of carbon cages to connect the two molecules.The ground-state structure’s symmetry is C2h .The geometric parameters are listed in Table 1.

The structure was determined by X-ray diffraction.
Results and discussion 3.1 Structure Analysis Single-crystal X-ray analysis reveals that the Schiff base BHBYA crystallizes in monoclinic system, with space group P21/c, and in a single chain like structure.
Part of the crystal data were listed in table 1, Molecular structure of BHBYA and Packing mode of BHBYA in the crystal structure in Fig. 1 and Fig. 2.
The results of Single-crystal X-ray analysis reveals that the Schiff base BHBYA crystallizes in monoclinic system, with space group P21/c, and in a single chain like structure.
Chinese Journal of Synthetic Chemistry, Vol. 12 (2004), p219

Introduction In recent years, 3–formylchromone and their derivatives have attracted large attention from the point of view of the biological activities and various medical chemistry applications [1–9].
Fig. 1 Molecular structure of 6–Bromo–4–Oxo–4H–Chromene–3–Carbaldehyde.
Ishikawa, Crystal structure of 6–fluoro–4–oxo–4H–chromene–3–carbaldehyde, Acta Cryst.
Ishikawa, Crystal structure of 7–chloro–4–oxo–4H–chromene–3–carbaldehyde, Acta Cryst.
Ishikawa, Crystal structure of 7–bromo–4–oxo–4H–chromene–3–carbaldehyde, Acta Cryst.

Electronic structure and optical properties of Cu-doped SnO2 Min Xu College of Electrical and Information Engineering, Southwest University for Nationalities, Chengdu 610041, Sichuan, People’s Republic of China 79199002@qq.com Keywords: band structure; the density of state; Dielectric function; absorption spectrum Abstract. based on Density Functional Theory, we investigated the optical structures and the electronic properties of Cu doped SnO2 with density of 12.5%, including band structure, the density of state(dos), Dielectric function and optical absorption spectrum.
Its properties depend on oxidation and reduction reactions at the surface and its surface structure [8,9].
From the band structure we found that the numbers of energy in all band structure are markedly increased than undoped SnO2[17], which had been contributed from Cu 5d and 5s.The fermi energy level moves into conduction band.
Arlinghaus, Journal of Physics and Chemistry of Solids 35 (1974) 931
Mechanical Properties and Electronic Structure of Various SnO2 Crystal Structures.

Preparation of Novel Gemini Quaternary Ammonium Salt Cationic Surfactant Zongcheng Miao1,a, Fang Wang2,b, Deng Deng3,c, Yongming Zhang1,d, Xiaoping Huo1,e, Lei Wang4,f* 1Xijing University, Xi’an, Shaanxi Province, 710123, China 2Department of Chemistry, Shaanxi Institute of Education, Xi’an, Shaanxi Province, 710061, China 3Xi'an Modern Chemical Institute, Xi'an, Shaanxi Province, 710065, China 4Key Laboratory of Auxiliary Chemistry & Technology for Chemical Industry，Ministry of Education.
FTIR and 1H NMR were used to represent structure of the gemini cationic surfactant.
So the Fourier Transform Infrared spectrum is according with the structure of HBOCP.
Foamability and foam stability of HBOCP performed better than 1831 and 1631, which attributes to the formation of double long chain alkyl because they are cross-linked by 3C in HBOCP, the structure accumulates more compact of hydrophilic groups than single quaternary ammonium salt in aqueous solution, consequently it could strengthen its hydrated ability, do help to the breadth of hydrated film, in addition, the packed distribution of hydrophobe double long chain alkyl would increase hydrated film viscosity.