Aromaticity reversals between the electronic ground (S0) and low-lying singlet (S1, S2) and triplet (T1, T2, T3) states of naphthalene and anthracene are investigated by calculating the respective off-nucleus isotropic magnetic shielding distributions using complete-active-space self-consistent field (CASSCF) wavefunctions involving gauge-including atomic orbitals (GIAOs). The shielding distributions around the aromatic S0, antiaromatic S1 (1Lb), and aromatic S2 (1La) states in naphthalene are found to resemble the outcomes of fusing together the respective S0, S1, and S2 shielding distributions of two benzene rings. In anthracene, 1La is lower in energy than 1Lb, and as a result, the S1 state becomes aromatic, and the S2 state becomes antiaromatic; the corresponding shielding distributions are found to resemble extensions by one ring of those around the S2 and S1 states in naphthalene. The lowest antiaromatic singlet state of either molecule is found to be significantly more antiaromatic than the respective T1 state, which shows that it would be incorrect to assume that the similarity between the (anti)aromaticities of the S1 and T1 states in benzene, cyclobutadiene, and cyclooctatetraene would be maintained in polycyclic aromatic hydrocarbons.
Many studies mentioned that there is a decline in the a achievement of intermediate second class students in mathematics . Parents and mathematics teachers had emphasized that . The studies related this decline to the students weak attitude towards mathematics .
In spite of the importance of this subject , it has not been given enough attention in research in our country . This research is an attempt to know th e relationships between the intermediate second class students , attitude and their achievement in mathematics .
Also, to know the statistical sign
... Show MoreAdsorption of AniLine and some derivatives from aqueous. solution on kaolin clays surface was investigated, The isotherms were of type S3 d S4 according to Giles Classification.
The effect of introducing electron withdrawing groups and
electron donating
Groups in the aromatic ring on the adsorption process has been investigated ; The results showed that the extent of adsorption has been increased as a
... Show MoreThe present study aimed to investigate the morphological description and histological structure of Gallbladder in the adult local chicken bird. The morphological description and histological structure of the Gallbladder in the local chicken Gallus gallus domesticus found in the form of a cystic, spindle or pear-shaped, dark green color, located within the visceral abdominal side of the right lobe of the liver, histologically it was found that its wall consisted of three tunicae. The first tunica is mucosa which consists of an epithelial lining layer and lamina propria layer, while the muscularis mucosa was missing. The second tunica is musclaris, which is composed of smooth circularly arranged muscle fibers, and the third tunica is serosa o
... Show MoreThe high cost of chemical analysis of water has necessitated various researches into finding alternative method of determining portable water quality. This paper is aimed at modelling the turbidity value as a water quality parameter. Mathematical models for turbidity removal were developed based on the relationships between water turbidity and other water criteria. Results showed that the turbidity of water is the cumulative effect of the individual parameters/factors affecting the system. A model equation for the evaluation and prediction of a clarifier’s performance was developed:
Model: T = T0(-1.36729 + 0.037101∙10λpH + 0.048928t + 0.00741387∙alk)
The developed model will aid the predictiv
... Show MoreIn this paper, we investigate the connection between the hierarchical models and the power prior distribution in quantile regression (QReg). Under specific quantile, we develop an expression for the power parameter ( ) to calibrate the power prior distribution for quantile regression to a corresponding hierarchical model. In addition, we estimate the relation between the and the quantile level via hierarchical model. Our proposed methodology is illustrated with real data example.
The Interests of British Military in Iraq was not based upon unified vision for the Iraqi identity ,it worked on breaking that identity and deal with the different ethnic and religious minorities and tried to bring it to its side and use it and its figures in the governmental position ,the aim was to make these minorities and here to the Britain to achieve its purposes and strategies in Iraq also vowed to provoked discord social conflicts between the components of Iraqi society.
However , the British military administration depended the portioning and deepen the cracks by depending on ethnic as well as religious minorities to achieve its plans in the future and plays on the string of these minorities under the pretext of defending it
Communication has seen a big advancement through ages; concepts, procedures and technologies, it has also seen a similar advancement of language. What unites language and media is the fact that each one of them guides and contributes to the other; media exists and results from language and from the other sign systems, and what strengthens this connection is the symbolic language system, as media helps it by providing knowledge and information. The change that occurred through time must leave a significant trace in the media, for example Diction, which has changed concerning development and growth, also the ways and mediums of media have become manifold and widespread. This change affected the recipient whether it was a reader, listener o
... Show MoreExperimental results on harmonic distortions in 13.56 MHz RF Argon glow discharge using different grounded electrodes areas and electrodes spacing are presented. The experiment is carried out at four pressure values. RF power values used are between 20 and 90 watts. The results indicate significant increase in distortions at two specific values of the cone angle enclosing the two electrodes within its geometrical volume. The computation of the cone head angle gave the symmetry discharge or asymmetry as well as when the angle is small the condition is near symmetry discharge associated with decrease in the nonlinearity.