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jih-1450
Theoretical Spectroscopic Study for Some Diatomic Molecules
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      In this work, four electronic states ( ,   , and   ) of some diatomic molecules (InF and InCl) was studied by TD-DFT with energy represented by the exchange-correlation energy. The SAOP/ATZP model was applied here to determine all parameters (re, Be, De, , , Te , and were determined to creation reliable values for electron spectroscopy. Also, another set of this calculation has been used represented by two theoretical models: ATZP and et-QZ3P-xD model. Therefore these theoretical models for (   and   , and   ) of the molecules have been compared with many values, theoretical and experimental values,  and appear convergence in values with simple error %. Our results showed that the TD-DFT with basis set in the present work is important for the estimation of spectroscopic parameters and constants for our molecules and the ATZP model is very close to et-QZ3P-xD model in all electronic states for InF and InCl molecules except some of the constants such as (Be).

 

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Publication Date
Fri Jan 17 2025
Journal Name
Euphrates Journal Of Agricultural Science
EFFECT OF NITROGEN , IRON AND THE METHODOF APPLICATIONON SOME NUTRIENTS ABSORPTION FOR APPLE LEAVES
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Publication Date
Mon Aug 01 2022
Journal Name
Computational And Theoretical Chemistry
Potential application of some metal decorated AlP nano-sheet for detection of boron trichloride
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BCl3 is toxic gas and its detection is of great importance. Thus, here, B3LYP, M06-2X, and B97D density functionals are utilized for probing the effect of decorating Zn, Cd, and Au on the sensing performance of an AlP nano-sheet (AlPNS) in detecting the BCl3. We predict that the interaction of pure AlPNS with BCl3 is physisorption, and the sensing response (SR) of AlPNS is approximately 9.2. The adsorption energy of BCl3 changes from −4.1 to −18.8, −19.1, and −19.5 kcal/mol by decorating the Zn, Cd, and Au metals into the AlPNS surface, respectively. Also, the corresponding SR meaningfully rises to 40.4, 59.0, and 80.9, indicating that by increasing the atomic number of metals, the sensitivity of metal decorated AlPNS (metal@AlPNS)

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Publication Date
Wed Feb 22 2023
Journal Name
Iraqi Journal Of Science
Evaluation the Biosorption Capacity of Water Hyacinth (Eichhornia crassipes) Root for Some Heavy Metals
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Heavy metals especially lead (Pb), cadmium (Cd), chromium (Cr) and copper (Cu) are noxious pollutants with immense health hazards on living organisms, these pollutants enter aquatic environment in Iraq mainly Tigris and Euphrates rivers via waste water came from different anthropological activities, This study investigated capacity of dried and ground root of water hyacinth (Eichhornia crassipes) in removing the heavy metals from their aqueous solutions. Effects of initial concentrations of the heavy metals and pH of their aqueous solutions were studied. Results of this study revealed excellent biosorption capacity of water hyacinth root in general, removal of Pb was the highest and Cr was lowest. The results showed that the Pb, Cu and C

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Publication Date
Wed Mar 16 2016
Journal Name
The Iraqi Journal Of Agricultural Sciences
PERFORMANCE EVALUATION OF FIELD AND GENETIC FOR SOME SIXTH RADIO GENERATION MUTANTS IN TOMATO
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The study was conducted at the fields of the Department of Horticulture and Landscape Gardening, College of Agriculture, University of Baghdad " Abu Ghraib" during the growing seasons 2013-2014 to Evaluate the Vegetative growth , yield traits and genetic parameter of some tomato mutants. Results showed significantly increased of plant height in M6-2 mutant 245cm in Comparison with M6- 3 130 cm . M6-4 mutant significantly increasing of floral clusters 13 . Mutant M6-3 showed significantly increasing the average of, fruit weight 125.9g and plant yield 7.17 kg.plant-1 as comparison with M6-2 which showed decreasing of average of fruit weight and plant yield 79.40g and 4.38 kg.plant-1 respectively. Also results showed the highest Genetic variat

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Publication Date
Tue Aug 31 2021
Journal Name
Iraqi Journal Of Science
Some Geometric Properties for a Certain Class of Meromorphic Univalent Functions by Differential Operator
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The major target of this paper is to study a confirmed class of meromorphic univalent functions . We procure several results, such as those related to coefficient estimates, distortion and growth theorem, radii of starlikeness, and convexity for this class, n additionto hadamard product, convex combination, closure theorem, integral operators, and  neighborhoods.

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Publication Date
Sun Jun 12 2011
Journal Name
Baghdad Science Journal
Effect of Water on Some Mechanical Properties for Sawdust and Chopped Reeds /UPE composites
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In this study, composite materials were prepared using unsaturated polyester resin as binder with two types of fillers (sawdust and chopped reeds). The molding method is used to prepare sheets of UPE / sawdust composite and UPE / chopped reeds composite. The mechanical properties were studied including flexural strength and Young's modulus for the samples at normal conditions (N.C). The Commercial wood, UPE and its composite samples were immersed in water for about 30 days to find the weight gain (Mt%) of water for the samples, also to find the effect of water on their flexural strength and Young's modulus. The results showed that the samples of UPE / chopped reeds composite gained highest values of flexural strength (24.

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Publication Date
Mon Mar 12 2018
Journal Name
Arabian Journal For Science And Engineering
Estimate Level of Radon Concentration for Drinking Water in Some Regions of Baghdad City
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Publication Date
Thu Apr 11 2024
Journal Name
Euphrates Journal Of Agriculture Science
Effect of cultivars and irrigation periods on some growth and yield indicators for watermelon
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Publication Date
Tue Mar 30 2021
Journal Name
Journal Of Economics And Administrative Sciences
Some Estimation for the Parameters and Hazard Function of Kummer Beta Generalized Normal Distribution
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Transforming the common normal distribution through the generated Kummer Beta model to the Kummer Beta Generalized Normal Distribution (KBGND) had been achieved. Then, estimating the distribution parameters and hazard function using the MLE method, and improving these estimations by employing the genetic algorithm. Simulation is used by assuming a number of models and different sample sizes. The main finding was that the common maximum likelihood (MLE) method is the best in estimating the parameters of the Kummer Beta Generalized Normal Distribution (KBGND) compared to the common maximum likelihood according to Mean Squares Error (MSE) and Mean squares Error Integral (IMSE) criteria in estimating the hazard function. While the pr

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Publication Date
Thu May 28 2020
Journal Name
Iraqi Journal Of Science
Some Geometric Properties for an Extended Class Involving Holomorphic Functions Defined by Fractional Calculus
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The main objective of" this paper is to study a subclass of holomrphic and univalent functions with negative coefficients in the open unit disk U= defined by Hadamard Product. We obtain coefficients estimates, distortion theorem , fractional derivatives, fractional integrals, and some results.

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