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Box 259, Dodoma, Tanzania 2Department of Chemistry, Baltiс Federal University, Kaliningrad, Russian Federation aprof59george@gmail.com, bsikachina@list.ru, csmbeloglazov@mail.ru Keywords: organic inhibitors of corrosion, mild steel, quantum chemistry, PM/3, MP/2, boundary orbitals, HOMO, LUMO, dipole moment, pair correlation.
For the studied complexions, the obtained dependences between corrosion inhibiting efficiencies and quantum chemical molecular structure descriptors were discussed in detail.
Clark: A Handbook of Computational Chemistry (Wiley-Interscience, USA, 1985)
Frisch: Exploring chemistry with electronic structure methods: a guide to using Gaussian.
Traven: Electronic Structure and Properties of Organic Molecules (Khimia/Chemistry, Russia, 1989) (in Russian)

Influence of Reaction Conditions on the Properties of Nano-Matrix Structure Formed by Graft-Copolymerization of Acrylonitrile onto Natural Rubber Kontapond Prukkaewkanjana1, a, Seiichi Kawahara2, b and Jitladda Sakdapipanich1, 3, c 1Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Mahidol University, Bangkok 10400, Thailand 2Department of Materials Science and Technology, Faculty of Engineering, Nagaoka University of Technology Nagaoka, Niigata 940-2188, Japan 3Institution of Molecular Biosciences, Mahidol University, Salaya Campus, Nakornpathom 73170, Thailand athangkwa_54@hotmail.com, bkawahara@chem.nagaokaut.ac.jp, cjstpuk@gmail.com Keywords: Nano-matrix structure, Graft-copolymerization, Natural rubber, Acrylonitrile Abstract.
However, it is inferior in oil resistance due to the presence of hydrogen and carbon in its structure.
The nano-matrix structure, observed by transmission electron micro-tomography, TEMT method, was found to be a hierarchical nano-phase separated structure, composing of NR particles of about one micrometer in diameter and PS matrix of about 15 nm in thickness.
Acknowledgments The present work was supported by the Center of Excellence for Innovation in Chemistry (PERCH-CIC).
Nano-matrix structure formed by graft-copolymerization of styrene onto natural rubber.

Nature Chemistry 9(11) (2017) 1056
Chemistry Letters 34(9) (2005) 1206-1211
Topics in Current Chemistry 378(2) (2020) 1-25
Chemistry letters, 39(2) (2010) 92-93
Adhikary, Gamma and ion-beam irradiation of DNA: Free radical mechanisms, electron effects, and radiation chemical track structure, Radiation Physics and Chemistry 128 (2016) 60-74

At high temperatures (above 2350 oC), ZrO2 exist as cubic fluorite structure (fm3m), while at low temperatures (below 1150 oC), monoclinic baddeleyite (p211c) structure dominates.
Howard, Crystal Structures of Zirconia Phases and their Inter-Relation, Key Eng.
Zhang, Size Dependence of Gas Sensitivity of ZnO Nanorods,  The Journal of Physical Chemistry C, 111 (2007) 1900-1903
Gale, Analytical Free Energy Minimization of Silica Polymorphs,  The Journal of Physical Chemistry B, 102 (1998) 5423-5431
Catlow, Computational Modelling Study of Bulk and Surface of Yttria-Stabilized Cubic Zirconia,  Chemistry Of Materials, 21 (2009) 3576-3585

Ltd., Zhangjiakou, Hebei, 075000,China 3Institute of Applied Chemistry,Wenzhou University,Wenzhou,Zhejiang,325035,China alijiechunyu@163.com * Corresponding author Keywords: acrylic ester, cytosine, Crystal structure, Synthesis Abstract.
In order to continue to expand the chemistry research as well as therapeutic potential of cytosine derivatives, i.e, cytosine analogs with higher biological activities, we describe the synthesis and crystal structure of 5-acrylic cytosine in this article.
Crystal structure.
The molecular structures and atomic numbering are shown in Fig. 1.
Fig.1 Molecular structure of compound Table 1.

This article first from the perspective of chemistry, the hard brittle shale borehole wall instability is studied, the experiment tested respectively by the white oil and water treatment of hard brittle shale of cation exchange capacity (CEC) value, so as to analyze the same and the hydration of clay mineral equivalent after processing samples, through analysis of the temperature, time, media's impact on hard brittle shale wellbore stability.
Drilling fluid from the aspects of experimental research on the chemistry of the shale mainly includes: the activity and the influence of water content on the mechanical properties of the shale analysis, the determination of the water absorbing capacity of the shale, CT scan technology research, the determination of hydration expansion pressure, artificial rock sample needle into the strength test, etc. 2.
Using the characteristic of the methylene blue, apply it to the experiment. 2.1.3 Scanning Electron Microscope (SEM) experiment First of mud shale microstructure by scanning electron microscopy (SEM) analysis, and respectively at different temperature, different time under the water and mud shale oil treated clay mineral crystal arrangement and cementation structure changes, to contrast analysis of water-based drilling fluid and all oil-base drilling fluid in hard brittle shale borehole wall stability. 3.
You can see from figure 3-4 to figure 3-5 after page mud sample sheet of water treatment structures are gathered, bedding is more clear, and the micro cracks gradually increases, the number is less, the spurs on the edge of the extension is more bright.
[5] SY/T 5613-2000, Methods for testing shale physics and chemistry properties

The ultrasonic non-metal testing technology, X-CT scanned image, free chloride and sulfate ions chemical titration were used to investigate the degradation of the marine concrete under the coupling effect of Chemistry and Mechanics.
It directly decides the service life of the concrete structure.
Therefore, it is significant and practical study the damage mechanism of concrete under coupling effect of chemistry-mechanics.
Durability of concrete structures Beijing: Science Press, 2002
The preventive measures of the deterioration of concrete structures exposed to marine environment and develop of the high performance concrete [Z].

Nanomaterials with many kinds of morphologies and compositions have been extensively investigated, and display various kinds of functionality in areas such as electronic structure, optical effects, spin dynamics, and gas sensing.
Because of advanced characterization and new fabrication techniques, nanomaterials are now central to multiple disciplines, including materials science, chemistry, physics, engineering and medicine.

The DFT studies on a novel hydrogen storage material Mg12Ni6-xCrx(x=0,1) Ying Liu1,a, Lingpeng Meng2,b, Shijun Zheng2, Shaowen Zhang1 1Key Laboratory of Cluster Science of Ministry of Education, School of Chemistry, Beijing Institute of Technology, Beijing 100081, People’s Republic of China. 2Institute of Computational Quantum Chemistry, College of chemistry, Hebei Normal University, Hebei Shijiazhuang 050016, People’s Republic of China.
Hebtu.edu.cn ; Keywords: Hydrogen Storage Materials, Density Functional Theory, Crystal Structure, Electron Structures Abstract.
Results and Discussions The structures of novel hydrogen storage material Mg12Ni6-xCrx (x=0,1) The cluster model shown in Fig.1(a) were constructed on the crystal structure of Mg12Ni6 (x=0) with hexagonal symmetry and P6222(No.180) space group , α=β=90.0°，γ=120.0° [8].
The crystal structure of Mg12Ni6H24 (LT-Mg2NiH4) with monoclinic symmetry and C2/c (No.15) space group, α=90.0°，β=113.34°，γ=90.0° [13,14]，as shown in Fig.1(c).
Chemistry Online.65(2002) 85-89

The majority of organismic surfaces, like the plant cuticle, is not smooth but micro-structured.
If based solely on surface chemistry, contact angles on smooth surfaces do not exceed 120° [16].
This shine is due to air trapped between the surface structures.
elasticity of the structures.
Cho: Journal of Physical Chemistry B Vol. 109 (2005), p. 20773 [46] H.