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Engineering promising A-π-D type molecules for efficient organic-based material solar cells
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Within this work, to promote the efficiency of organic-based solar cells, a series of novel A-π-D type small molecules were scrutinised. The acceptors which we designed had a moiety of N, N-dimethylaniline as the donor and catechol moiety as the acceptor linked through various conjugated π-linkers. We performed DFT (B3LYP) as well as TD-DFT (CAM-B3LYP) computations using 6-31G (d,p) for scrutinising the impact of various π-linkers upon optoelectronic characteristics, stability, and rate of charge transport. In comparison with the reference molecule, various π-linkers led to a smaller HOMO–LUMO energy gap. Compared to the reference molecule, there was a considerable red shift in the molecules under study (A1–A4). Therefore, based on the analysis of energy level, A4 and A3 were shown to be promising non-fullerene acceptors with the designed donors for applications in solar cells. It is hoped that the current study would provide theoretical insights into the design and amplification of optoelectronic characteristics of suggested frameworks on a grand scale in comparison with the reference molecules.

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Publication Date
Sat Mar 31 2018
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Study of the Performance of Paraffin Wax as a Phase Change Material in Packed Bed Thermal Energy Storage System
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The present work deals with an experimental investigation of charging and discharging processes in thermal storage system using a phase change material PCM. Paraffin wax was used as the PCM which is formed in spherical capsules and packed in a cylindrical packed column which acted as an energy storage system. Air was used as the heat transfer fluid HTF in thermal storage unit. The effect of flow rate and inlet temperature of HTF on the time of charging and discharging process were studied. The results showed that the faster storage of thermal energy can be made by high flow rate of heat transfer fluid HTF and high inlet temperature of heat transfer fluid. It was found that at 65°C HTF inlet temperature, the melting and solidification pr

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Publication Date
Sun Dec 01 2013
Journal Name
Journal Of Economics And Administrative Sciences
CALCULATION BIASES FOR COEFFICIENTS AND SCALE PARAMETER FOR LINEAR (TYPE 1) EXTREME VALUE REGRESSION MODEL FOR LARGEST VALUES
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Abstract

Characterized by the Ordinary Least Squares (OLS) on Maximum Likelihood for the greatest possible way that the exact moments are known , which means that it can be found, while the other method they are unknown, but approximations to their biases correct to 0(n-1) can be obtained by standard methods. In our research expressions for approximations to the biases of the ML estimators (the regression coefficients and scale parameter) for linear (type 1) Extreme Value Regression Model for Largest Values are presented by using the advanced approach depends on finding the first derivative, second and third.

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Publication Date
Tue Jan 30 2024
Journal Name
Iraqi Journal Of Science
Inference for Generalized Inverted Exponential Distribution UnderProgressive Type-I Interval Censored Data
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This article discusses the estimation methods for parameters of a generalized inverted exponential distribution with different estimation methods by using Progressive type-I interval censored data. In addition to conventional maximum likelihood estimation, the mid-point method, probability plot method and method of moments are suggested for parameter estimation. To get maximum likelihood estimates, we utilize the Newton-Raphson, expectation -maximization and stochastic expectation-maximization methods. Furthermore, the approximate confidence intervals for the parameters are obtained via the inverse of the observed information matrix. The Monte Carlo simulations are used to introduce numerical comparisons of the proposed estimators. In ad

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Publication Date
Tue Oct 20 2020
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Estimating of Survival Function under Type One Censoring Sample for Mixture Distribution
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In this article, it is interesting to estimate and derive the three parameters which contain two scales parameters and one shape parameter of a new mixture distribution for the singly type one censored data which is the branch of right censored sample. Then to define some special mathematical and statistical properties for this new mixture distribution which is considered one of the continuous distributions characterized by its flexibility. Next,  using maximum likelihood estimator method for singly type one censored data based on the Newton-Raphson matrix procedure to find and estimate values of these three parameter by utilizing the real data taken from the National Center for Research and Treatment of Hematology/University of Mus

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Publication Date
Sat Jul 01 2017
Journal Name
Fuel
High purity FAU-type zeolite catalysts from shale rock for biodiesel production
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Publication Date
Mon Aug 01 2022
Journal Name
Inorganic Chemistry Communications
Study the application of new type green corrosion inhibitors for iron metal
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Density functional theory (DFT) calculations were used to evaluate the capability of Glutamine (Gln) and its derivative chemicals as inhibitors for the anti-corrosive behavior of iron. The current work is devoted to scrutinizing reactivity descriptors (both local and global) of Gln, two states of neutral and protonated. Also, the change of Gln upon the incorporation into dipeptides was investigated. Since the number of reaction centers has increased, an enhancement in dipeptides’ inhibitory effect was observed. Thus, the adsorption of small-scale peptides and glutamine amino acids on Fe surfaces (1 1 1) was performed, and characteristics such as adsorption energies and the configuration with the highest stability and lowest energy were ca

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Publication Date
Wed Jul 01 2015
Journal Name
The Sai 2015
An optimal defuzzification method for interval type-2 fuzzy logic control scheme
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Publication Date
Mon Sep 23 2019
Journal Name
Baghdad Science Journal
Hazard Rate Estimation Using Varying Kernel Function for Censored Data Type I
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     In this research, several estimators concerning the estimation are introduced. These estimators are closely related to the hazard function by using one of the nonparametric methods namely the kernel function for censored data type with varying bandwidth and kernel boundary. Two types of bandwidth are used:  local bandwidth and global bandwidth. Moreover, four types of boundary kernel are used namely: Rectangle, Epanechnikov, Biquadratic and Triquadratic and the proposed function was employed with all kernel functions. Two different simulation techniques are also used for two experiments to compare these estimators. In most of the cases, the results have proved that the local bandwidth is the best for all the

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Publication Date
Sat Dec 01 2018
Journal Name
2018 Third Scientific Conference Of Electrical Engineering (scee)
A UWB Monopole Antenna Design based RF Energy Harvesting Technology
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Recently, wireless charging based RF harvesting has interfered our lives [1] significantly through the different applications including biomedical, military, IoT, RF energy harvesting, IT-care, and RFID technologies. Wirelessly powered low energy devices become significantly essential for a wide spectrum of sensing applications [1]. Such devices require for low energy resources from sunlight, mechanical vibration, thermal gradients, convection flows or other forms of harvestable energy [2]. One of the emerging power extraction resources based on passive devices is harvesting radio frequency (RF) signals powers [3]–[5]. Such applications need devices that can be organized in very large numbers, so, making separate node battery impractical.

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Publication Date
Mon Sep 25 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Preparation and Characterization of the Complex Attuplgite-polyazo m-phenelen p-kresole as a Composite nano Material
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    In this study a new composite nano material was prepared and characterized through the polymerization of inter attuplgie layered m-phenylendiamine with p-kresol. The results indicated that the propagated polymer separated the clay aluminosilicate layers as a two dimensional nano-sheets soaked in the prepared polymer matrix with losing the original fibrous structure of Attuplgite clay.

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