Density Functional Theory (DFT) method of the type (B3LYP) and a Gaussian basis set (6-311G) were applied for calculating the vibration frequencies and absorption intensities for normal coordinates (3N-6) at the equilibrium geometry of the Di and Tetra-rings layer (6, 0) zigzag single wall carbon nanotubes (SWCNTs) by using Gaussian-09 program. Both were found to have the same symmetry of D6d point group with C--C bond alternation in all tube rings (for axial bonds, which are the vertical C--Ca bonds in rings layer and for circumferential bonds C—Cc in the outer and mid rings bonds). Assignments of the modes of vibration IR active and inactive vibration frequencies (symmetric and asymmetric modes) based on the image modes applied by the Gaussian 09 display. The whole relations for the vibration modes were also done including nCH stretching, nC--C stretching, δCH, δring (δC--C--C) deformation in plane of the molecule) and gCH, gring (gC--C--C) deformation out of plane of the molecule. The assignment also included modes of puckering, breathing and clock-anticlockwise bending vibrations.
The problem of the study and its significance:
Due to the increasing pressures of life continually, and constant quest behind materialism necessary and frustrations that confront us daily in general, the greater the emergence of a number of cases of disease organic roots psychological causing them because of severity of a lack of response to conventional treatments (drugs), and this is creating in patients a number of emotional disorders resulting from concern the risk of disease
That is interested psychologists and doctors searchin
... Show MoreThis work implements the face recognition system based on two stages, the first stage is feature extraction stage and the second stage is the classification stage. The feature extraction stage consists of Self-Organizing Maps (SOM) in a hierarchical format in conjunction with Gabor Filters and local image sampling. Different types of SOM’s were used and a comparison between the results from these SOM’s was given.
The next stage is the classification stage, and consists of self-organizing map neural network; the goal of this stage is to find the similar image to the input image. The proposal method algorithm implemented by using C++ packages, this work is successful classifier for a face database consist of 20
... Show MoreThis paper deals with constructing a model of fuzzy linear programming with application on fuels product of Dura- refinery , which consist of seven products that have direct effect ondaily consumption . After Building the model which consist of objective function represents the selling prices ofthe products and fuzzy productions constraints and fuzzy demand constraints addition to production requirements constraints , we used program of ( WIN QSB ) to find the optimal solution
In this paper the oscillation criterion was investigated for all solutions of the third-order half linear neutral differential equations. Some necessary and sufficient conditions are established for every solution of (a(t)[(x(t)±p(t)x(?(t) ) )^'' ]^? )^'+q(t) x^? (?(t) )=0, t?t_0, to be oscillatory. Examples are given to illustrate our main results.
This research is concerned with the study of (the aesthetic of constructive relations in linear composition) with what distinguished Arabic calligraphy through the style and artistic method in its construction, and the specifications it carries that enabled it to pay attention to building formations to achieve in its total linear ranges aesthetic values and relationships. Through the research, the models and the exploratory study that he obtained, the researcher was able to raise the research problem in the first chapter according to the following question: What is the aesthetic of constructive relations in linear formation?
The importance of the research in achieving the aesthetics of the formations, which is a wide field according t
in this paper fourth order kutta method has been used to find the numerical solution for different types of first liner
The existing investigation explains the consequence of irradiation of violet laser on the structure properties of MawsoniteCu6Fe2SnS8 [CFTS] thin films. The film was equipped by the utilization of semi-computerized spray pyrolysis technique (SCSPT), it is the first time that this technique is used in the preparation and irradiation using a laser. when the received films were processed by continuous red laser (700 nm) with power (>1000mW) for different laser irradiation time using different number of times a laser scan (0, 6, 9, 12, 15 and 18 times) with total irradiation time (0,30,45,60,75,90 min) respectively at room temperature.. The XRD diffraction gave polycrysta
... Show MoreThe study was carried out to determine the cytotoxic, antioxidant and gastro-protective effect of ethyl-4-[(3,5-di-tert-butyl-2-hydroxybenzylid ene)amino] benzoate (ETHAB) in rats.
Among Persian poets and literary works, Ferdowsi and Shahnameh have a distinctive and prominent place. Since the 5th C. AH , they took the interest of all Persian language and literature scholars and were one of the first books to be translated into different languages including Arabic by Al Fatih Bin Ali Bin Mohammed Al-Bandari in the year of (620)AH .Because it was completed in the early 7th C. AH and in terms of antiquity, there is no older copy than of Al-Bandari’s version which holds great value in the analysis of Shahnameh other different copies.
To find out the how far analogy goes, the present paper makes a general comparisons of Bijan and Manijeh in Shahnameh Fer
... Show MoreDoxycycline and levofloxacin are heterocyclic organic compounds that are now popularly used to treat some bacterial infections. In this study which was conducted on patients from a private clinic, we compared the use of two commonly used antibiotics for the treatment of diagnosed cases with vaginal chlamydial infection: levofloxacin and doxycycline. Vaginal chlamydial infection is considered to be a very common sexually transmitted infection. It may have minimal symptoms which can lead to neglect by the patient until it leads to some important complications among which is the inability to become pregnant. This indicates early diagnosis and treatment of this infection. By comparing the results of treatment we concluded that there is no much
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