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Natural Bond Orbital Analysis of [Fe(H2O)6]2+/3+ and [Zn(H2O)6 ]H2On2+; N=0-4
(2016-09)
Nature of delocalization of the electrons from the ligands to metals in the first coordination sphere of the highspin complexes [Fe(H2O)6]2+/3+ and [Zn(H2O)6]2+ are computationally studied using density functional theory. ...
Structure-Function Relationship of a Gellan Family of Polysaccharide, S-198 Gum, Produced by Alcaligenes ATCC31853
(Scientific Research Publishing, 2016-05)
The structure-function relationship of a gellan family of polysaccharides, S-198 gum produced by Alcaligenes ATCC31853 was investigated in terms of rheological aspects. The flow curves of S-198 gum showed plastic behavior ...
Plant Cell Wall, a Challenge for Its Characterisation
(Scientific Research Publishing, 2016-06)
The plant cell wall is a complex 3D network composed of polysaccharides, lignin and proteins. The knowledge of the structure and content of each cell wall polymer is a prerequisite to understand their functions during plant ...
Study the Attenuation Coefficient of Granite to Use It as Shields against Gamma Ray
(Scientific Research Publishing, 2016-04)
The present work investigates the linear and mass attenuation coefficients for gamma rays practically and theoretically by using spectroscopy gamma ray (UCS-20) and program (XCOM)) for various types of common use granite, ...
Anisotropy of Photocatalytic Properties in Nanostructured Photocatalysts
(Scientific Research, 2016-04)
Energy band engineering and the nature of surface/interface of a semiconductor play a significant
role in searching high efficiency photocatalysts. Actually, the active facets, morphology controlling,
especially the ...
Bubble Formation in Helicoidal DNA Molecules
(2016-11)
Wave interaction is addressed the framework of the helicoidal Peyrard-Bishop model of DNA. The model is first reduced to a set of coupled nonlinear Schrodinger equations via the multiple scale expansion. Modulational ...
Density Functional Study of Molecular Orbitals of Ferrocene and Cobaltocene Molecules
(2016-10)
The electronic structure and geometry optimization of ferrocene and cobaltocene molecules are calculated using DFT/B3LYP with the basis set of 6-31G (d). The Eigen values, Eigen vector and population analysis of the molecules ...
Theoretical Insight into the Structure, Energetic Property and Thermal Stability of C6N6H12 Cages
(2016-11)
Recent theoretical studies have identified carbon-nitrogen cages are potentially stable high energy density materials. Two such C6N6H12 cages were proposed and investigated using the density functional theory comparison ...
Enhancing Mar and Abrasion Resistance of Acrylic Hard Coatings with Soft Base Layer
(Scientific Research, 2016-01)
Mar and abrasion resistance were investigated by a progressive load scratch test and steel wool
abrasion test, respectively. Two acrylic coating systems including trimethylolpropane triacrylate
(TMPTA) and pentaerythritol ...
Effect of Molecular Weight and Molecular Distribution on Skin Structure and Shear Strength Distribution near the Surface of Thin-Wall Injection Molded Polypropylene
(Scientific Research, 2016-01)
In this study, the relationship between skin structure and shear strength distribution of thin-wall
injection molded polypropylene (PP) molded at different molecular weight and molecular distribution
was investigated. ...