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Structures of carboxyphthalocyanine complexes containing zinc, cadmium and mercury were optimized using the B3LYP functional.
Their structures in the ground states were optimized, and related electronic structures and spectroscopic properties were discussed in detail.
Results and discussion Geometry Structures.
The optimized structures were depicted in Fig. 1.
Analysis on electronic structures demonstrates the band is π→π* transition property around phthalocyanine ligand.

The experiments can increase its sulfur content of adsorbent, and the study found that sulfur attached to the surface, mesopore structure, microporous structure of fly ash-based adsorbents.
Apart from specific surface area, element content, pore structure, and surface morphology of activated carbon have great effect on its adsorption ability.
Figure 5 Specific surface area analysis results The characteristics of the samples’ pore structure were shown in table 2.
The sulfur impregnation procedure exhibited strong impact on the carbon pore structure.
Meye, Elemental Sulfur Chemistry and Physics, John Wiley & Son, Inc.; New York, 1965, p. 92.

Thermo-responsive microgels with core-shell structure were prepared by free radical emulsion polymerization.
For this reason, a new design for the structure of thermo-responsive microgels is acquired.
Microgels are typical structure for the polymers.
Recently Michael Zeiser and co-workers synthesized microgels with core-shell structure.
[4] V Lapeyre, C Ancla, B Catargi, et al, Glucose-responsive microgels with a core–shell structure, J.

The periodic structure of the shallow trench isolation (STI) type ULSI cells are generally adopted as the latest semiconductor device structure.
Dimensions of the model is typical for STI structure with the gate length 62 nm.
The structure consists of the volumes 塩 to 甥, as shown in Fig. 1 (b).
Fig. 1 (a) Schematic illustration of the periodic structure of the STI type ULSI cells.
[4] Encyclopedia for Physics and Chemistry, 3 rd ed., edited by B.

Among the important elements of this evolution are the following: progress in surface science, colloids, interfaces and aggregates, advances in physics and chemistry of nanoobjects, breakthroughs in instrumentation with the possibility of manipulating atoms, miniaturization trends in microelectronics, fabrication and characterization of micro and nanosystems, increased coupling with biology (or bio-inspired systems) and, finally, progress in theory and modelling.
Indeed N&N will most likely play a key role in practically all fields of application: medicine, information and communication technologies, new materials and structures, environment and sustainable development, energy production and storage, instrumentation, security.
The common basis lies in the functionalization of compact and even integrated systems, often exploiting the possibility of structuring matter at a scale smaller then the wavelength of light (fibers and photonic crystals).
Here nanotechnology plays a truly transversal role involving physics, chemistry, engineering, human and social sciences and biology.

In the FE modeling, CNTs were assumed as solid structures.
Griebel, Molecular Simulation of the Influence of Chemical Cross-Links on the Shear Strength of Carbon Nanotube-Polymer Interfaces, The Journal of Physical Chemistry, 106 (2002) 3046-3048
Blau, A Microscopic and Spectroscopic Study of Interactions between Carbon Nanotubes and a Conjugated Polymer, The Journal of Physical Chemistry B 106 (2002) 2210-2216
Anifantis, Numerical investigation of elastic mechanical properties of graphene structures, Materials and Design, 31 (2010) 4646-4654.

Journal of Materials Chemistry A, 1(13) (2013) 4255-4264
Materials Chemistry and Physics, 131(1-2) (2011) 297-305
Itamura, Simulated Nanoscale Peeling Process of Monolayer Graphene Sheet: Effect of Edge Structure and Lifting Position.
International Journal of Solids and Structures, 45(20) (2008) 5419-5436

Improving safe properties of Pp13TFSI based electrolyte for high-voltage graphite/ Li[Li0.2Mn0.54Ni0.13Co0.13]O2 battery Huifeng LI1, a* Genban SUN1,b , Qiang WANG2,c , Linna SUN3,d, and Funbin JIANG1,e * 1 College of Chemistry, Beijing Normal University, 100875 Beijing, PR China, 2 Laboratory for Micro-sized Functional Materials & College of Elementary Education, Capital Normal University, 100048 Beijing, PR China 3 College of Chemistry, Shenzhen University, 518060 Shenzhen, PR China, alihuifeng@bnu.edu.cn, bgbsun@bnu.edu.cn, c qwchem@gmail.com, dlindasun1999@126.com, ejfb@bnu.edu.cn Keywords: Ionic liquid; Safety; Li-rich cathode; Lithium ion battery Abstract.
(iv) The Li-rich materials structure will be re-arranged when the first charge above 4.5V, and the rearrangement structure damage the reversibility of the lithium intercalation/deintercalation process [24].

Besides, SiHA spectrum displays bands and shoulders (sh) related to the incorporation of Si into the hydroxyapatite structure: 492 (sh), 504, 525, 750, 835 (sh), 889, 981 (sh) and 1000 (sh) cm-1 [9].
The surface chemistry and more especially the Si-OH groups at the Si0.5HA surface could modify cell attachment, movement, proliferation or differentiation through conformational changes in extracellular matrix proteins.
Surface chemistry of the Si0.5HA ceramic seems disturbing the deposition of ECM, and affecting the ability of the osteoblast cells to attach, to move and more generally to survive.
The structure of the bond between bone and porous Si-HA bioceramic implants.

Specimens in Table 3 were nominated first 2 letters after structure system, and the letter(s) following a hyphen shows coarse aggregate.
The result implies that even pre-stressing to structure cannot effectively to reinforce the weakness of lightweight aggregate concrete such as tensile or shear strength.
Jónsson, in: Theoretical Methods in Condencsed Phase Chemistry, edited by S.D.
Schwartz, volume 5 of Progress in Theoretical Chemistry and Physics, chapter, 10, Kluwer Academic Publishers (2000)