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Calculation results indicate that ortho-, meta- and para-complexes can convert mutually by overcoming a π-complex structured transition state.
Calculations Molecular structures of reactants were designed using Chem-Office 2004 program.
Geometric parameters of TS3 and IM2 confirm that their structures are identical.
Parameters of Cl are almost the same in two structures.
Li, The Bond and Electronic Structure for Metal Azides, Beijing: Science Press, (1996)

Finite Element Analysis of Four Fracture Mechanism in the Thermal Barrier Coating Yuhui Chen1, a, Xiaoxiang Yang* 2,b, Shuncong Zhong 2,c 1 School of Chemistry and Chemical Engineering, Fuzhou University; Fuzhou 350108; China 2 School of Mechanical Engineering and Automation, Fuzhou University; Fuzhou 350108; China a 54248450@qq.com, byangxx@fzu.edu.cn, czhongshuncong@hotmail.com Keyword: Crack, Failure Mechanism, Residual Stress Field, Numerical Simulation Abstract.
They have characteristics of complex structure and long-term work in high temperature environment, etc.
So the interface cracks in multilayer structure material usually have a complex expanding cracking path.
TBCs are composed of four layers structure, alloy matrix (Sub), the bond layer (BC), the oxidation layer (TGO) and an APS Yttria Partially Stabilized Zirconia (TBC) at the top.
The indirect heat-structure coupling transient calculation is used, four nodes Plane55 plane strain elements in thermal analysis is adopted, Plane182 plane strain units is converted in structure analysis.

Microhardness was evaluated across the joints to facilitate further understanding of the joint chemistry.
Braze seam revealed dendrite structure for joints treated for 20 min and 30 min. in the joint, brazed for 20 min, localised isolated shrinkage cavities were also seen within the brazed joint.

Structure of perovskites In this kind of perovskite halide crystal material with AMX3 structure, there is a very important parameter to measure its crystal structure, called tolerance factor t.
Positive structure a and inverted structure b of perovskite solar cells Figure 4a is the positive device structure of perovskite solar cells.
Among them, the electron transport layer can be a porous structure or a planar structure.
Chemistry of Materials, 2002, 14(10):4390-4395
Journal of Materials Chemistry A, 2017, 5(33):17499-17505

According to the parameter, coal is divided into subgroups basing upon the vitrain content, being the carrier of the main seam properties and determining homogeneity and solidity of the structure, and fusain content, indicating its undermorphism and containing, as a rule, numerous mineral inclusions (Table 1)
Chemistry and coal processing.
Moskow, Chemistry, 336
Chemistry and technology of basic organic and petrochemical synthesis: textbook for high schools.
Moskow, Chemistry, 592

The multiple curved structure can be manually draped by several cut segments using epoxy-based fabric prepreg.
Moreover, the intended initial fiber orientation of the laminate is ±45° with respect to the rotation axis of the structure.
The knowledge of the real fiber angles is important for the dimensioning of the composite structure.
A peel ply was waived in order to preserve the original surface texture of the fabric structure.
Voggenreiter, Carbon Fiber Reinforced Composites, in: Ullmann's Encyclopedia of Industrial Chemistry, Wiley-VCH, Weinheim, 2009, pp. 1-120

Raya Bandung-Sumedang Km. 21 Jatinangor, Sumedang 45363, Indonesia 2Department of Chemistry, Padjadjaran University, Jl.
The crystal structure and magnetic properties of the samples were characterized by XRD and SQUID measurements.
In this study, we investigate the crystal structure and magnetic parameters of electron-doped high-Tc cuprates in the normal state with the parent compound Eu2CuO4.
The results of analysis of structural parameters from XRD data confirmed that all samples have tetragonal crystal structure (a = b ≠ c) with planar configuration, called T’-structure, which represented by the major peaks at Miller indexes of (013) and (110) and the space group of I4/mmm.
From XRD measurement, all samples have T’-structure.

China 2Laboratory for Solid State Chemistry & Inorganic Membranes, Department of Materials Science and Engineering, University of Science and Technology of China (USTC), Hefei, 230026, P.R.
The NiO-YSZ hollow fiber anode was prepared by the immersion-induced phase inversion technique and shows a special asymmetrical structure with porous sponge-like structure in the middle and finger-like structure on the inner and outer side of the hollow fiber.
As can be seen from Fig.2a, the Ni-YSZ hollow fiber anode with a thickness of about 200μm presents a typical sandwich structure, i.e. sponge-like structure in the middle and finger-like structure on the outer and inner sides.
The special asymmetric fiber structure could be attributed to the rapid precipitation occurred at both the inner and outer fiber walls, resulting in finger-like pores and slow precipitation giving porous sponge-like structure at the center of the fiber [11].
The prepared Ni-YSZ hollow fiber anode shows an asymmetrical structure with large finger-like structure on the inner and outer sides, and sponge-like structure in the middle.

However, the nature of the morphologies at the interface between the fullerene and polymer phases, the role of temperature in influencing these morphologies, and the exact mechanisms by which the structure develops are not completely clear[15, 18, 25-31].
Molecular simulation studies have sought to reveal the structure and conformation of conjugated polymers in the presence of graphene substrates.
We postulate that the behavior of the different graphene sheets is linked to their surface structure and chemistry: highly functionalized surfaces with a predominance of sp3 carbon results in sheets that perform poorly in the charge conduction role, as evidenced by the systems with GO in the active layer.
Raman spectroscopy of pristine graphene (PG), reduced graphene oxide (RGO), and graphene oxide (GO) reveals differences in their surface chemistry and degree of oxidization.
Monographs on the physics and chemistry of materials1999, New York: Oxford University Press. xxix, 1328 p

The resulting structure of JUC-76 is a distorted rutile topology with one 3-connected organic node and one 6-connected inorganic node.
The structure was solved by direct methods.
Crystal data and structure refinement for JUC-76.
Better insight into the structure of JUC-76 can be achieved by reducing multidimensional structures to simple rod geometries and associated nets [9, 32].
SHELXS 97 Program for Crystal Structure Refinement, University of Gottingen, Gottingen Germany, 1997