Search results

Introduction Using the structure field testing measurement response information to modify structure finite element (FE) analysis model (parameters), and making the response calculated from the updated structure FE model same as the response measured from the field test, this process is known as structure FE model updating.
This method is applied earliest in chemistry, agriculture, aviation, machinery and so on experimental areas [7], and is gradually applied in civil engineering (structure reliability analysis) fields [8, 9].
And the simple structure static RS model (function) is got.
Using of structure static-testing response information, this structure static RS model can be updated repeatedly instead of the structure FE model.
And the structure RS model updating results has acceptable accuracy.

Bonds and geometry of the carbon structure of cyclohexane.
Three-dimensional structure scheme of benzene according to the model ID.
[5] CRC Handbook of Chemistry and Physics, D.
Martinez, in The Journal of Physical Chemistry A, Ab Inizio Multiple Spawning Dynamics Multi-State Second-Order Perturbation Theory, Washington (2009)
Evidence from first principles study of ethylene interaction with copper species, Royal Society of Chemistry (2015)

According to TEM observation, the dense bulks obtained by HHP had a hexagonal mesopore structure.
Therefore, the mesoporous structures in dense FSM bulk bodies were retained after HHP.
Mesoporous structure was clearly observed for bulky FSM.
[3] W.Chen, W.Cai, Z.Zhang and Lide Zhang: Chemistry Letters Vol.30 (2001) No. 2, p.152-153
[10] A.Nakahira, S.Takezoe and Y.Yamasaki: Chemistry Letters Vol.33 No.10 (2004), p.1400-1401.

In the 6-31+G (D, P) basis set, we have used CIS method to calculate the structure of cyclopentanone ions excited state and vibration frequencies.
Theoretical calculations Take the C5H8O + stable structures as a new structure type, with the CIS method at 6-31 + g (d, p) basis we optimized, then calculated the frequency under the same level, the results pointed out that there is no imaginary frequency, we obtained the stable structure.
In the B3LYP/6-31+G (d, p) level, all possible fragments generated by the GaussView3.07 the initial structure and internal coordinates, the structure of C4H8+ fragments optimization and frequency calculation.
Its structure is as follows: Figure 1: C4H8+ stable structure C5H8O+ low excitation may fragmentation mechanism as follows: C5H8O+ C4H8+ + CO + Theoretical calculation data and physical experiments Experimental data is provided by Dr.
The basic principles of quantum chemistry and ab initio calculation [M].Beijing: Science press, 1985 [2] K.

This research through use chloroplast rbcL gene to analyze lilium phylogeny, structure protein tertiary structure of Lilium rbcL gene,and find adaptive evolution mechanism in lilium species.
Modeling protein tertiary structure and adaptive evolution analysis For the spatial analysis of the codon site under positive selection, the model of 3D structure was searched by using PDB database.
The sequences of Lilium bakerianum was used in the database and the best model found was the structure of a product complex of spinach ribulose-1, 5-bisphosphate carboxylase/oxygenase (PBDID:1WWD).
Homology modeling was conducted by using SWISS-MODEL [9] according to the 3D structure of 1WDD, and the original configuration was obtained.
Acknowledgments This work was carried out with the financial support from the key Laboratory of chemistry in Ethnic Medicinal Resource, Yunnan University of nationalities open fund (MZY1116).

Spectral properties of the optoelectronic material rhenium (I) tricarbonyl complexes with bipyridine ligand containing triphenylamine moiety Hongying Xia1, a, and Feng Zhao1,b 1 Jiangxi Key Laboratory of Organic Chemistry, Jiangxi Science &Technology Normal University, Fenglin Street Nanchang, Jiangxi 330013, China.
Molecular geometries, electronic structures, and optical absorption spectra of the complexes studied were discussed in detail using density functional theory (DFT) and time-dependent density functional theory (TDDFT).
Results and discussion Molecular orbitals Fig.1 Optimized ground state geometric structures of complex The optimized ground state geometric structures of complex are shown in Fig. 1 and the contributions of the different fragments to the frontier occupied and virtual orbitals are listed in Table 1.
They thank the Guizhou University High Performance Computation Chemistry Laboratory (GHPCC) for help with computational studies.

Therefore, these SEM structures are evidence of successful incorporation of MWCNT in PEEK matrix composites Figure 3 SEM image of MWCNT reinforced PEEK matrix composites Figure 4.
Chena, PEEK composites reinforced by nano-sized SiO2 and Al2O3 particulates Materials Chemistry and Physics 90 (2005) 185–195 [3] M.
Chen, Materials Chemistry and Physics Vol. 90 (2005) p. 185
[6] Davim, J.P., Reis, P., Lapa, V. and Antonio, C.C, Machinability Study on Polyetheretherketone (PEEK) Unreinforced and Reinforced (GF30) for Applications in Structural Components, Composite Structures. 62 (2003) 67–73
[7] Park, D.C., Lee, S.M., Kim, B.C., Kim, S.H. and Lee, D.G, Development of Heavy Duty Hybrid Carbon-Phenolic Hemispherical Bearings, Composite Structures. 73 (2006) 88–98

The ultrasound synthesis (USS) occurs by applying a high frequency ultrasound (between 20 kHz and 10 MHz), which promotes the chemistry reaction in a molecular level.
The phenomenon responsible for the chemistry reaction is the acoustic cavitation, which can be described as the fast formation, growth and collapse of bubbles, current to the ultrasound applying, providing chemical and physical changes.
In almost all USS reactions nanostructure materials are obtained, and these nanostructures can differ in size, morphology, structure and solid phase (crystalline or amorphous), but they are always in nanometric scale.
- Powder characterization The structural characterization of the powders was performed by X-ray diffraction (XRD), in order to identify the crystal structure of the powder.
Institute of Electronic Structure and Laser, Foundation for Research and Technology-Hellas.

Characterization of Bismuth Vanadate Nanopowder Prepared by Microwave Method Pusit Pookmanee1,2,a *, Prakasit Intaphong1,b, Jitrephan Phanmalee1,c, Wiyong Kangwansupamonkon3,d, and Sukon Phanichphant4,e 1Department of Chemistry, Faculty of Science, Maejo University, Chiang Mai, 50290, Thailand 2Nanoscience and Nanotechnology Research Laboratory (NNRL), Faculty of Science, Maejo University, Chiang Mai, 50290, Thailand 3National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency, Pathumthani, 12120, Thailand 4Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai, 50200 Thailand apusit@mju.ac.th, bboychemmju@gmail.com, cJIaom@outlook.com, dwiyong@nanotec.or.th, esphanichphant@yahoo.com Keyword: Bismuth vanadate, microwave method, X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy Abstract.
Confirmation structure of Bi2VO5.5 nanopowder was obtained by comparison with the Joint Committee on Powder Diffraction Standard (JCPDS) Card File No.42-0135 [12].
Single phase of orthorhombic structure of Bi2VO5.5 nanopowder was obtained without calcination step and compared with Joint Committee Powder Diffraction Standards (JCPDS) Card File No. 42-0135.
Single phase orthorhombic structure of Bi2VO5.5 nanopowder was obtained without calcinations steps.
Acknowledgments This research was financially supported by the Science Achievement Scholarship of Thailand (SAST), the Department of Chemistry and the Nanoscience and Nanotechnology Research Laboratory (NNRL), Faculty of Science, Maejo University, Chiang Mai, Thailand.

Synthesis of a Novel Photochromic Fluorescence Switching Diarylethene for Optical Recording Storage Taofeng Wang, Gang Liu*, Weijun Liu Jiangxi Key Laboratory of Organic Chemistry Jiangxi Science & Technology Normal University Nanchang 330013, P.
Scheme 1 showed the molecular structure and photoisomerization of diarylethene 1a.
The structures of diarylethene 1a were confirmed by NMR spectra were recorded on Bruker AV400 (400 MHz) spectrometer with CDCl3 as the solvent and tetramethylsilane as an internal standard. 5 mg diarylethene sample and 50 mg PMMA were dissolved ultrasonically into 0.5 ml chloroform.
The structure of 1a was characterized by 1H NMR (400 MHz, CDCl3, TMS): δ1.86(s, 3H), 2.30(s, 3H), 3.28(m, 4H), 5.69(s, 1H), 6.88(s, 1H), 7.19(d, 1H), 7.33(m, 2H), 7.53(d, 1H).
Kawai, Organic chemistry: A digital fluorescent molecular photoswitch, Nature. 420 (2002) 759-760