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(Color online) (a) Interaction energy comparison between the DFT and the CCSD(T) results of 45 complex; (b) Crystalline structure comparison between the DFT and the experimental results of 7 typical high explosives.
Since the crystalline structure of ε-HMX is unknown, we thus approximate ε-HMX by the β phase and explore the phase transition at higher pressure.
With further increasing of the pressure, γ-HMX loses its H2O molecules and changes its crystalline structure to β-HMX.
The reliability of the present DFT method is proved by accurate prediction of the interaction energies of 45 complexes and the crystalline structures of 7 typical explosives.
Ferraro, in: Spectroscopy in Inorganic Chemistry V2 (Academic Press, New York and London 1971).

Emphasis is placed on magnesium structures produced by semisolid processing routes where a new approach to heat treatment is required.
In as-cast structures, however, the solid solution is enriched below 437 oC to only 3-4 at%.
Mg-rich portion of the Mg-Al phase diagram, emphasizing phase transformations during heating and cooling; The inset shows differences in crystallographic structure between magnesium and aluminium.
IN THE HEXAGONAL CLOSE PACKED STRUCTURE OF MAGNESIUM, SLIP TAKES PLACE PREDOMINANTLY ON THE CLOSE PACKED (0001) BASAL PLANES.
THIS TYPE OF MICROSTRUCTURE AND THE CHEMISTRY OF PHASES PRESENT REQUIRE NOVEL HEAT TREATMENT PROCESSES.

The effect of different synthetic parameters such as hydrothermal temperature and hydrothermal time on the structure development of Cu-saponite was discussed.
Their crystal structure consists of layers made up of a central octahedral sheet with essentially a brucite [Mg(OH)2] structure, in which four out of six OH- groups are replaced by oxygen atoms.
Influence of synthesis conditions on the the Cu-saponite structure and texture All samples were characterized by nitrogen physisorption measurements.
It is well known that the pore structure of a catalytic material plays an important role in the catalytic performance of the catalyst.
Based on the results of nitrogen physisorption, the pore structure of the synthetic samples was well defined and the different pore structures of the saponite catalysts may cause marked difference in the catalytic activities.

The effects of oxidative decolorization of azo dyes were related to the molecular structure and weight of azo dyes.
The effects of molecular weight and structure on decolorization of azo dyes were also discussed.
The chemical structures of dyes were shown in Fig. 1.
Fig.6 Effect of Effect of dye structure on oxidative decolorization (dyes concentration 10 mg/L, 100 mL, H2O2 0.5 mL, CuPc-LDHs 0.05 g , 25 oC, and 7h) Discussion on the Effect of Molecular Weight and Structure The effects of oxidative decolorization were related to the molecular structure and weight of azo dyes.
The effects of molecular weight and structure on decolorization of azo dyes were also discussed.

Synthesis, structure and electrical properties of Pr- doped apatite-type lanthanum silicates Lipeng Tiana, Zhihua Renb College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, 53 Zhengzhou Road, Qingdao 266042，China atian8907@126.com, bjenjerry@163.com Keywords: lanthanum silicate; electrical conductivity; sol-gel method; doped Abstract.
The effects of doping with Pr on the structure and conductivity were investigated.
The Pr3+ doping at the La site has a little effect on the hexagonal apatite-type structure, though only a slightly decrease in the unit cell volumes as shown in Table 1.

The unit cell of the pseudoboehmite is slightly larger than that of the boehmite because of the greater incorporation of water in the same structure [1].
This fact would be due to the incorporation of water in the crystalline structure.
Figure 4 X-ray diffraction results of pseudoboehmite sample Nitrogen adsorption isotherm and specific surface area: The N2 adsorption-desorption isotherms of the samples show that they correspond to type IV of the classification of the International Union of Pure and Applied Chemistry (IUPAC) [16].
Hysteresis loops can take a wide variety of shapes, and, according to Sing et al. [16], they provide information about the material's structure.
Inorganic Chemistry 60 (13) (2021) 9820-9832.

Performance of Submerged Arc Furnace Using Different Structures of Condensing Lining General Structure of Condensing Lining.
At present, the condensing lining structure applied in ferroalloy enterprises is a combination structure which is shown in Fig. 1.
The structure of which is shown in Fig. 2.
Therefore, a composite structure of taphole shown as Fig. 3 is needed.
Turkdogan, Physical chemistry of temperature technology, Academic Press, New York, 1980 [2] J.

The structure and texture of V-MCM-41 materials had been investigated by XRD and N2 adsorption/desorption analysis.
All the samples remained the mesoporous structure.
The two samples after 6 day hydrothermal treatment remained good mesoporous structure.
Furthermore, after 10-days hydrothermal treatment, the mesoporous structure of two materials was destroyed.
It could be said that the precursor of inorganic silicate was helpful for the structure stability in the system.

CERICOL has developed and scaled-up a “green chemistry” synthesis in water or glycols allowing simple industrial applications on different substrates as tiles, glass, plastic, paint, wood and concrete.
Nano-structured surfaces characterization.
NO and NOx depletion in titania nano structured glass surface.
NO and NOx depletion in titania nano- structured fibrous cement.
The test was performed on nano-structured TiO2 treated tiles.

Figure 1 shows the structure of the diamines.
a) b) Fig.1 – Structures of diamines, which was used in PAIU synthesis: a) MPD, b) PPD 2.2.
This effect confirmed the existence of microphase separation in polymer structure.
Polyamic acids and polyimides: synthesis, transformation, and structure, CRC Press, Inc., 2000
Journal of Polymer Science Part A: Polymer Chemistry, 2004, 42:341-350 [11] US Patent 4944880.