Both traditional and novel techniques were employed in this work for magnetic shielding evaluation to shed new light on the magnetic and aromaticity properties of benzene and 12 [n]paracyclophanes with n = 3–14. Density functional theory (DFT) with the B3LYP functional and all-electron Jorge-ATZP and x2c-TZVPPall-s basis sets was utilized for geometry optimization and magnetic shielding calculations, respectively. Additionally, the 6-311+G(d,p) basis set was incorporated for the purpose of comparing the magnetic shielding results. In addition to traditional evaluations such as NICS/NICSzz-Scan, and 2D-3D σiso(r)/σzz(r) maps, two new techniques were implemented: bendable grids (BGs) and cylindrical grids (CGs) of ghost atoms (Bqs). BGs allow for the recording of magnetic shielding from the bent ring levels of [n]pCPs, while CGs provide tubular magnetic shielding scan (TMSS) maps detailing the magnetic shielding from a cylindrical region above and below the ring frame. Our findings suggest that smaller [n]pCPs with n < 6 exhibit deviations in the magnetic shielding above and below the ring, indicating a broken electron delocalization under the ring. In contrast, larger [n]pCPs tend to behave similarly to benzene in terms of magnetic shielding. Moreover, we found that shorter polymethylene chains of [n]pCPs exhibit significantly higher magnetic shielding interactions with the ring. Both of the above techniques offer new and promising tools for characterizing nonplanar aromatic compounds, thereby contributing to a deeper understanding of their magnetic and electronic properties.
In this study, we investigate the run length properties for the EWMA charts with time - varying control limits, and fast initial Response (FIR), for monitoring the mean of a normal process with a known standard deviation , by using non - homogeneous markov chain approach.
The aim of this paper is to approximate multidimensional functions by using the type of Feedforward neural networks (FFNNs) which is called Greedy radial basis function neural networks (GRBFNNs). Also, we introduce a modification to the greedy algorithm which is used to train the greedy radial basis function neural networks. An error bound are introduced in Sobolev space. Finally, a comparison was made between the three algorithms (modified greedy algorithm, Backpropagation algorithm and the result is published in [16]).
The aim of the current research is to find out the extent to which algebraic thinking skills are included in the mathematics textbook for the third intermediate grade for the academic year (2020-2021) by answering the main research question:What algebraic thinking skills are included in the mathematics textbook for middle third grade?The descriptive and analytical approach was used, and to achieve the goal of the research, a list of the main algebraic thinking skills and the sub-skills were prepared, and after analyzing the content of the mathematics textbook, the stability of the analysis was verified through the analysis over time and across individuals using the Holsti equation, and
... Show MoreThis Research deals with estimation the reliability function for two-parameters Exponential distribution, using different estimation methods ; Maximum likelihood, Median-First Order Statistics, Ridge Regression, Modified Thompson-Type Shrinkage and Single Stage Shrinkage methods. Comparisons among the estimators were made using Monte Carlo Simulation based on statistical indicter mean squared error (MSE) conclude that the shrinkage method perform better than the other methods
The location of fire brigade stations and equipment has a significant impact on the efficacy and efficiency of fire brigade department services. The challenge addressed by this study was that the fire brigade department required a consistent and repeatable technique to assess the response capabilities and safeguarding levels offered as the city of Samawah/Iraq grew and changed. Evaluating the locations of the current fire brigade stations in the city of Samawah is the aspect addressed by the research to determine the accuracy and validity of the locations of these stations by the competent authorities and their suitability to the area of the city’s neighborhoods and its residents. The Iraqi Ministry of Housing, Construction, Municipalitie
... Show MoreIn this paper the Galerkin method is used to prove the existence and uniqueness theorem for the solution of the state vector of the triple linear elliptic partial differential equations for fixed continuous classical optimal control vector. Also, the existence theorem of a continuous classical optimal control vector related with the triple linear equations of elliptic types is proved. The existence of a unique solution for the triple adjoint equations related with the considered triple of the state equations is studied. The Fréchet derivative of the cost function is derived. Finally the theorem of necessary conditions for optimality of the considered problem is proved.
Soil is the cardinal resource for agricultural crops. Healthy soil will produce healthy plants. Since healthy soil is the important goal for the farmers, they need to select the best tillage system to achieve that goal. There are two main types of tillage systems. Conservation tillage (no-tillage farming) uses agricultural machinery that performs a double function; tillage and seed farming simultaneously. In contrast, conventional tillage farming uses multiple agricultural machines to till and seed the soil. The farmers in the northern governorates of Iraq have used the conservation farming system for a long time. However, the farmers who live in the middle and southern governorates in Iraq use conventional tillage farming. Because most of
... Show MoreThe work reported in this study focusing on the abrasive wear behavior for three types of pipes used in oil industries (Carbone steel, Alloy steel and Stainless steel) using a wear apparatus for dry and wet tests, manufactured according to ASTM G65. Silica sand with
hardness (1000-1100) HV was used as abrasive material. The abrasive wear of these pipes has been measured experimentally by measuring the wear rate for each case under different sliding speeds, applied loads, and sand conditions (dry or wet). All tests have been conducted using sand of particle size (200-425) µm, ambient temperature of 34.5 °C and humidity 22% (Lab conditions).
The results show that the material loss due to abrasive wear increased monotonically with
In this paper, our purpose is to study the classical continuous optimal control (CCOC) for quaternary nonlinear parabolic boundary value problems (QNLPBVPs). The existence and uniqueness theorem (EUTh) for the quaternary state vector solution (QSVS) of the weak form (WF) for the QNLPBVPs with a given quaternary classical continuous control vector (QCCCV) is stated and proved via the Galerkin Method (GM) and the first compactness theorem under suitable assumptions(ASSUMS). Furthermore, the continuity operator for the existence theorem of a QCCCV dominated by the QNLPBVPs is stated and proved under suitable conditions.