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.
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This study was (the reality of beekeeping in Iraq and ways of developing them) as a research project in the branch of production is important branches of the productivity of the agricultural sector in Iraq, and the importance of this section, productive (beekeeping) for the agricultural sector in his contribution to increase the vegetable production and improve the quality and the various Classes of types, through its active role in the pollination of plants and indirectly (when the bees to move between plants to collect nectar and pollen grains), which contributes to reduce the losses in plant production and raise the rate of productivity per donum of various agricultural crops.
On the other hand play a
... Show MorePauses as pragmatic markers are considered important devices that help readers to gain a better and deeper understanding of certain texts as well as speech, promoting effectively language communication. They can help both the speaker and the hearer, due to the functions they have in a text. Their occurrence in speech has a value that they make it more understandable. In this regard, the present study aims to examine the forms and functions of pauses in literary texts, more specifically, in selected extracts from two dramas, namely, Pinter's The Homecoming and Baker's Circle Mirror Transformation and to compare how the two writers use pauses in these two dramas. To do so, the sequential production approach of turn-taking by Sacks, Sc
... Show MoreThe present work aims to study the efficiency of using aluminum refuse, which is available locally (after dissolving it in sodium hydroxide), with different coagulants like alum [Al2 (SO4)3.18H2O], Ferric chloride FeCl3 and polyaluminum chloride (PACl) to improve the quality of water. The results showed that using this coagulant in the flocculation process gave high results in the removal of turbidity as well as improving the quality of water by precipitating a great deal of ions causing hardness. From the experimental results of the Jar test, the optimum alum dosages are (25, 50 and 70 ppm), ferric chloride dosages are (15, 40 and 60 ppm) and polyaluminum chloride dosages were (10, 35 and 55 ppm) for initial water turbidity (100, 500 an
... Show MoreNaber and toning in the modern Arab poetry Mahmoud Darwish, a model
Background: Diabetes mellitus (DM) accompanied with an increase in the death rate and represents a significant public health challenge. It is the cause of other disorders and infection in many body organs. Hence, it is important to study the possible changes in the immunological components in the serum of diabetic patients which are not well understood. In this work, serum C3, C4, IgA, IgG, and IgM were estimated in the patients with insulin dependent diabetes mellitus (IDDM) and compared with healthy persons. Patients and Methods: Twenty-one insulin dependent diabetic patients in addition to twenty-four healthy persons as control group were participated in this study. Serum C3, C4, IgA, IgG, and IgM were measured by using immunodiffusio
... Show MoreThe Logic of Freezers and Animals in the Holy Quran
Transition strengths ↓
2
. u . w
2) M(E for gamma transition from first excited 21
+
states to the
ground states that produced by pure electric quadrupole emission in even –even isotopes of
56Ba and 62Sm have been studied through half- lives time for 21
+
excited states with the
intensities of γ0- transitions measurements and calculated as a function of neutron number
(N). The results thus obtained have shown that; the nuclides with magic neutron number such
as 56Ba
138
and 62Sm
144
have minimum value for ↓
2
. u . w
2) M(E .
. Mesopotamian art is thase mployed all around him into forms for artistic purposes and different con not at ions help him to understand the world around him and customized for their interests
The mural architectural art has distinguished traits that made it promote to the rank of the prominent arts that have been employed by the Mesopotamian human to relate to the world the heroic deeds and exploits of that civilization ,that formed greatest and most splendid wonderful works that still illustrious and outstanding till nowadays .The mural architectural art of pottery and glazed considered one of the most ancient wonders of Mesopotamian creation in Old Iraq .The best quintessence of mural
... Show MoreA new laboratory study conducted on stepped spillways in order to investigate their efficiency of dissipating flow energy. All previous study on stepped spillway indicated that the flow energy dissipation decreased as increasing in discharge. Increasing in the step numbers and the spillway slope led to energy dissipation decrease. In this study, an experimental attempt to increase energy dissipation at variable discharges was performed on stepped spillway and that leads to decreasing the cost of initiating the stilling basin or may be ignoring it. Five spillways were constructed from concrete and tested to investigate and compare among them. Three were roughed by gravel with different size for each one, one of them was s
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