Numerous integral and local electron density’s topological parameters of significant metal-metal and metal-ligand bonding interactions in a trinuclear tetrahydrido cluster [(Cp* Ir) (Cp Ru)2 (μ3-H) (μ-H)3]1 (Cp = η5 -C5Me5), (Cp* = η5 -C5Me4Et) were calculated and interpreted by using the quantum theory of atoms in molecules (QTAIM). The properties of bond critical points such as the delocalization indices δ (A, B), the electron density ρ(r), the local kinetic energy density G(r), the Laplacian of the electron density ∇2ρ(r), the local energy density H(r), the local potential energy density V(r) and ellipticity ε(r) are compared with data from earlier organometallic system studies. A comparison of the topological processes of different atom-atom interactions has become possible thanks to these results. In the core of the heterometallic tetrahydrido cluster, the Ru2IrH4 part, the calculations showed that there are no bond critical points (BCPs) or identical bond paths (BPs) between Ru-Ru and Ru-Ir. The distribution of electron densities is determined by the position of bridging hydride atoms coordinated to Ru-Ru and Ru-Ir, which significantly affects the bonds between these transition metal atoms. On the other hand, the results confirm that the cluster under study contains a 7c–11e bonding interaction delocalized over M3H4, as shown by the non-negligible delocalization index calculations. The small values for ρ(b) above zero, together with the small values, again above zero, for Laplacian ∇2ρ(b) and the small positive values for total energy density H(b), are shown by the Ru-H and Ir-H bonds in this cluster is typical for open-shell interactions. Also, the topological data for the bond interactions between Ir and Ru metal atoms with the C atoms of the cyclopentadienyl Cp ring ligands are similar. They show properties very identical to open-shell interactions in the QTAIM classification.
In this paper we introduced a new class of - called - and study their basic properties in nano topological spaces. We also introduce -closure and -interior and study some of their fundamental properties.
Breast cancer was one of the most common reasons for death among the women in the world. Limited awareness of the seriousness of this disease, shortage number of specialists in hospitals and waiting the diagnostic for a long period time that might increase the probability of expansion the injury cases. Consequently, various machine learning techniques have been formulated to decrease the time taken of decision making for diagnoses the breast cancer and that might minimize the mortality rate. The proposed system consists of two phases. Firstly, data pre-processing (data cleaning, selection) of the data mining are used in the breast cancer dataset taken from the University of California, Irvine machine learning repository in this stage we
... Show MoreIn this paper , two method which deal with finding the optimal value for adaptive smoothing constant, are compared .This constant is used in adaptive Single Exponential Smoothing (ASES).
The comparing is between a method uses time domain and another uses frequency domain when the data contain outlier value for autoregressive model of order one AR(1) , or Markov Model, when the time series are stationary and non stationary with deferent samples .
This paper focuses on Load distribution factors for horizontally curved composite concrete-steel girder bridges. The finite-element analysis software“SAP2000” is used to examine the key parameters that can influence the distribution factors for horizontally curved composite steel
girders. A parametric study is conducted to study the load distribution characteristics of such bridge system due to dead loading and AASHTO truck loading using finite elements method. The key parameters considered in this study are: span-to-radius of curvature ratio, span length, number of girders, girders spacing, number of lanes, and truck loading conditions. The results have shown that the curvature is the most critical factor which plays an important
The dependence of the energy losses or the stopping power for the energies and the related penetrating factor are arrive by using a theoretical approximation models. in this work we reach a compatible agreement between our results and the corresponding experimental results.
This study aimed to extract, purify, and characterize the protease of local Okra Abelmoschus esculentus pods. The extraction process was conducted using ten extraction solutions with different pH and ionic strength values. Phosphate buffer solution with (pH 7, 0.05M, containing 2% sodium chloride) gave the highest activity which was (7.2 Unit/ml) as compared to other solutions, which ranged from 0.8-5.9 Unit/ml. The extracted enzyme purified by several stages. Being, precipitation by gradual addition of Ammonium sulphate from 20 to 85% saturation, then the precipitated enzyme was dialyzed and fractionated through DEAE-Cellulose (22X1.1cm), the enzymic fractions were pooled. The specific activity, purification fold and the enzyme yield value
... Show MoreThis paper proposes a new algorithm (F2SE) and algorithm (Alg(n – 1)) for solving the
two-machine flow shop problem with the objective of minimizing total earliness. This
complexity result leads us to use an enumeration solution approach for the algorithm (F2SE)
and (DM) is more effective than algorithm Alg( n – 1) to obtain approximate solution.
One of the main aims of Metrical Phonology Theory (MTT) is to provide the stress of poetry on the syllable, the foot, and the phonological word levels. Analyzing poetry embodies one of the most prominent and controversial metrical issues as the subsumed number and types of syllables, feet, and meters are balanced compared to other literary texts. The MTT saw the light during the late seventies (1975) and (1977) by Liberman and Prince, who produced it as part of non-linear phonology. Its roots originated in prosody, which studies poetic meter and versification. The basis of the metrical analysis is the prosodic analysis developed in London by Firth and his students in 1950. This study aims to identify the values of five metri
... Show MoreNew developments imposed different patterns of interactions between major international powers and Iran during 2018, ranging to varying degrees between cooperation and tension, the most important of which is the new measures taken by the United States to withdraw from the nuclear agreement and impose new US sanctions on Iran, which in turn insisted on not responding to pressure to which they are exposed to make changes in their policies and to negotiate again about the main contentious files, especially the nuclear program and ballistic missiles, and the roles they play for crisis countries, especially supporting some armed organizations in Syria, Lebanon, Iraq and Yemen. These differences have put the international forces before difficult
... Show MoreThis paper applies the Modified Adomian Decomposition Method (MADM) for solving Integro-Differential Inequality, this method is one of effective to construct analytic approximate solutions for linear and nonlinear integro-differential inequalities without solving many integrals and transformed or discretization. Several examples are presented, the analytic results show that this method is a promising and powerful for solving these problems.