In this work the strain energy of tetrahedrane and its nitrogen substituted molecules were calculated by isodesmic reaction method according to DFT quantum chemical fashion, the used basis set was 6-31G/B3-LYP, in addition all structures were optimized by RM1 semi-empirical method. From the obtained data we estimate an empirical equation connect between strain energy of the molecule with charge functions represented by dipole moment of the molecule plus accumulated charge density involved within the tetrahedron frame plus the number of nitrogen atoms. The results indicate the charge spreading factors by polarization and processes are the most important factors in decreasing the strain energy.
Abstract New derivatives of 1,2,4- triazole , 1,2,4-triazole -3-one and 1,2,4-triazole-3-thione were obtained through this research. Acid hydrazide derivative was present from reaction of poly acryloyl chloride with hydrazine hydrate in presence of DMF as a solvent then reacted with benzonitrile and its derivatives to give 1,2,4-triazole derivatives. After that reaction of poly acryloyl chloride with semicarbazide and semithiocarbazide to form semicarbazone and semithiocarbazone derivatives respectively. Finally, closing of semicarbazone and semithiocarbazone derivatives with 2% NaOH gave 1,2,4-triazole -3-one and 1,2,4-triazole-4-thione derivatives respectively. These new synthesized products have been characterized by infrared, 1 H-n
... Show MoreTwo series of 1,3,4-oxadiazole derivatives at the sixth position of the 2,4-di-
In the last years, a new technology called Cloud computing has been developed. Empirical and previous studies, commonly examined in business field and other domains. In this study, the significant factors that affecting the adoption of cloud computing have been examined using a frequency analysis that have been explored by the previous studies. The results showed that the most effected factors were relative advantage which followed by security and privacy, complexity, innovativeness, and external support. In this study the model of technology organization-environment was used to examine the significant factors that affecting the adoption of cloud computing.
The charge density distributions (CDD) and the elastic electron scattering form factors, F(q), of the ground state for some 1f-2p shell nuclei, such as 74Ge, 76Ge, 78Se and 80Se nuclei have been calculated based on the use of occupation numbers of the states and the single particle wave functions of the harmonic oscillator potential with size parameters chosen to reproduce the observed root mean square charge radii for all considered nuclei. It is found that introducing additional parameters, namely β1 and β2 which reflect the difference of the occupation numbers of the states from the prediction of the simple shell model leads to a remarkable agreement between the calculated and experimental results of the charge density distributions
... Show MoreVenus orbit around the Sun is an ellipse inside the Earth orbit. The elements of Venus orbit and its position are affected by the gravitational force of near planets therefore the elements were determined with Julian date through ten years 2011-2020. The orbital elements used to calculate Venus distance from the Sun, the heliocentric and geocentric equatorial coordinates. From the results the orbit of Venus and its position were described and show the gravity effect of near planets on it. The results get the values and their variation through ten years for the eccentricity, semi-major axis, inclination, longitude of ascending node, argument of perihelion, mean anomaly and distance from the Sun. The variation is very small through 10 year
... Show MoreThe research aims to identify the effectiveness of violence by parents in the consolidation of positive values among students. Additionally, the research aims to identify the differences in violence levels among students regarding their gender (males & females). The study was limited to the intermediate school students in Baghdad city / Karkh2 for the academic year 2017-2018. The results showed that males are more violent than females do and that discrimination led to experience violence more than other methods. The researcher recommends the need to create a positive atmosphere within the school context. For future studies, the researcher suggests conducting a study to identify the violence and its relation to some personal character
... Show MoreIn this study the new azo compounds (3compounds) for nitrogen bases (Adenine and Cytosine) are synthesized through two reaction steps (formation of diazonium salt and coupling reaction). The compounds have been characterized by FTIR, melting point, and ultra-violate (UV) spectra. All synthesized compounds have been estimated in vitro for their antimicrobial activities against two species of bacteria(E.coli, S.aureus)and one kind of fungi ( Aspergillus flavus) .The results show that these compounds have very good antibacterial and antifungal activities especially compounds 1 and 3.To study the effect of these compounds were making some physiological tests on rats are made ,the results of hematological study showed decreasing level of
... Show MoreQuite anumber of parents and educators of this behavior,which is characterized by exaggerating locomotor activity and impulsivity and recklessness and the difficulty of continuing the status of certain bodily more than one minute ,and the difficulty of waiting to meet aparticular need or desire,it also characterized by thos meddling children the affairs of others and increased their chatter does not seem the case when you listen to talk to them and they characterized by weak self-confidence and are more solid and seem un able to keep ther responses because of the severity of anxiety .The research aims to know impulsive behavior among kindergartens children and its relation ship with some variables, and the sa
... Show MoreParents who give their sons arole in making parental decisions and admiring their views are the ones who build confidence and the feeling of competence within themselves and then their edgiest- rent with themselves becones better .
The (A.B) person-ality type is the core base of most psychological and educational studies because it is one of the most important subjects Concerning with the study of growth aspects whether they are physical, mental or Social. The present Study ains to measure the level of parental treatment among high School students, measure the level of (A) Personality type concept among them, recognize Statistically Significant differences in the level of parentaltreatment according gender variable and recognize the C
The kindergarten teacher play a role in fixing the children behavior so she must plant the value and the habits that make a positive behavior and accepted by the society so the teacher must know all the right educational psychological styles to fix the children behavior and make them accepted psychologically and socially so the problem of the research start from knowing the relation between the methods of dealing with the kindergarten’s teachers and the non right behavior appearance for the kindergarten children. The current research aims to measure the negative behavior appearance of the children of kindergarten and distinguish it according to (sex and levels) and to distinguish the most using styles by the teachers of kinderg
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