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Density Functional Theory Study of Intermolecular Interaction between RDX and H2O Xiu-Lin Zeng1, 2, a and Xue-Hai Ju2, b 1 Department of Chemistry and Chemical Engineering, Huainan Normal University, Huainan 232001, P.
China 2 Department of Chemistry, Nanjing University of Science and Technology, Nanjing 210094, P.
Natural bond orbital analyses and frequency calculations were performed on each optimized structure.
The initial structures of RDX, H2O and their corresponding heterodimers were obtained from Chem3D software.
Natural bond orbital analyses and frequency calculations were performed on each optimized structure.

The roast product can reabsorb the anion and water to restore the original structure, which has a unique structure "memory effect" [1-6].
MgNiAl-LDHs samples have smooth surface, complete structure, diameter of 60-100 nm and even particle size distribution.
Chemistry, 2010. 13(3): 870-878 [3] Ma W, Zhao N, Yang G, et al.
Synthesis and Anion Exchange Chemistry of Rhombohedral Li/Al Layered Double Hydroxides[J].
Chemistry of Materials, 2002, 14(1):232-234

Through XRD verified the formation of mesoporous structure.
Beck et al. [8], demonstrating that removing the template did not affect the structure of MCM-41.
The presence of structures formed by channels provides an ordered hexagonal XRD pattern with peaks over the structures where the channels are arranged disorderly [9].
The XRD patterns showed only the formation of typical spectra of the structure of MCM-41.
Constable, Chemistry, third ed., Pearson Education Limited, England, 2006

Pore structure with droplets shape has uniform pore size and distribution, according to Fig 2.
Fracture structure appeared due to the defects of the wall.
Compared the data from samples of 900℃, specific surface area of the material without mesoporous structure was only 2.37 m2/g, while the material with mesoporous structure reached 94.5 m2/g.
Thomson, Nanofabricated and self-assembled magnetic structures as data storage media, Phys.
Su, Insights into hierarchically meso–macroporous structured materials, J.

The FT-IR spectra of isobutyl-chitosan and chitosan showed that structure of isobutyl-chitosan-Ca (Ⅱ) complexes was obviously different with isobutyl-chitosan.
Introduce calcium ion into the structure of chitosan or its derivatives could effectively improve their hemostatic property.
The structure of isobutyl-chitosan-Ca(Ⅱ) complex was characterized by FT-IR and UV-Vis, the content of calcium was measured by ICP-OES.
This might because that on the one hand, the current experimental conditions had not reached optimum synthesis conditions, on the other hand, the molecular structure of chitosan had introduced isobutyl, which molecular space structure was greater.
Guo: Bioorganic & Medicinal Chemistry Letters, Vol. 22 (2012) No.15, p.3418

Andersson Department of Materials Chemistry, The Ångström laboratory, Uppsala University, Box 538, SE-751 21, Uppsala, Sweden Keywords: Cementite structure, Neutron diffraction, Crystal structure, Palladium-nickel phosphide Abstract.
The crystal structure contains two crystallographically different palladium sites (8d and 4c).
In the present study the crystal structure was determined.
Crystal structure refinements.
Crystal structure of Pd2.7Ni0.3P0.94.

Chain structure and dynamic mechanical property of the vinylidenefluoride and chlorotrifluoroethylene copolymers Guoping Zeng1,a, Chunbo Yue2, Yaqing Weng1, Mingyu Wang2, Hengfeng Li2,b 1Institute of Applied Chemistry, Jiangxi Academy of Sciences, Nanchang, 330096, China 2School of Materials Science and Engineering, Central South University, Changsha, 410083, China aemail: nczgp@126.com, bemail:lihengfeng@gmail.com Keywords: chain elements structure, length distribution of chain segments, copolymer, dynamic mechanical property Abstract.
The result shows: the increasing of the CTFE content decreases the chain elements structure of VDF-VDF, the random distribution of VDF-CTFE structure has a great effect on the crystallization properties and the dynamic mechanical properties.
This result shows that, adding more content of CTFE may lead to form the structure of CTFE-CTFE.
The helical structure makes the free volume smaller, as a result, the interaction between chain units gets stronger.
Conclusion The Tg of copolymers increase from-31.27℃ to -16.83℃ along with the increases of CTFE, the configuration of chains changes, and the planar structure into helical structure; the node of key joints make it into irregular helical structure, according to these changes ,the free volume of chain units gets smaller, the interaction of that much stronger.

By processing steels in the semi-solid state it is possible to achieve unconventional structures even with commonly used steels.
Since the steels are made by powder metallurgy, their initial structure contains globular carbides in ferritic matrix.
The selection of these steels was based on previous experience with designing chemistries and with calculations of chemical compositions suitable for semi-solid processing.
Jirkova, Structure of Miniature Components from Steel Produced by Forming in Semi-solid State, Trans.
Masek, Unconventional Structure of X210Cr12 Steel Obtained by Thixoforming, Journal of Alloys and Compounds. 504S (2010), 500-503.

The colloid-chemistry control of metallic powders in aqueous slurries is proposed as a way to prepare Ti powders with small particle size for a better pressing behavior through the spray dry process.
The colloidal chemistry of the powders dispersed in water became so a critic aspect to achieve homogenous materials.
By control the colloid-chemistry of the metallic particles in water, suspensions of pure nickel and nickel-ceramics composites with high solid contents has been obtained [[] Ferrari, B, Sanchez-Herencia, A.J., Moreno, R., Porous Nickel Coatings on Steel Tubes Formed by Aqueous Colloidal Processing, Adv.
Therefore, it seem clear an improvement of feasibility of the 10 μm powder pressing leading to structure with a lower grain size.

It was found that the unsaturated structures in SO reduced after modification.
Results and discussion Chemical structure of modified SO.
The chemical structure of modified SO was demonstrated by 1H-NMR.
[7] Hayichelaeh C, Reuvekamp L.A.M.E, Dierkes W.K, Blume A, Noordermeer J.W.M and Sahakaro K: Rubber Chemistry and Technology.
[8] Hayichelaeh C, Reuvekamp L.A.M.E, Dierkes W.K, Blume A, Noordermeer J.W.M and Sahakaro K: Rubber Chemistry and Technology.