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.
Abstract
In this study, we compare between the autoregressive approximations (Yule-Walker equations, Least Squares , Least Squares ( forward- backword ) and Burg’s (Geometric and Harmonic ) methods, to determine the optimal approximation to the time series generated from the first - order moving Average non-invertible process, and fractionally - integrated noise process, with several values for d (d=0.15,0.25,0.35,0.45) for different sample sizes (small,median,large)for two processes . We depend on figure of merit function which proposed by author Shibata in 1980, to determine the theoretical optimal order according to min
... Show MoreThe survival analysis is one of the modern methods of analysis that is based on the fact that the dependent variable represents time until the event concerned in the study. There are many survival models that deal with the impact of explanatory factors on the likelihood of survival, including the models proposed by the world, David Cox, one of the most important and common models of survival, where it consists of two functions, one of which is a parametric function that does not depend on the survival time and the other a nonparametric function that depends on times of survival, which the Cox model is defined as a semi parametric model, The set of parametric models that depend on the time-to-event distribution parameters such as
... Show MoreIn this paper, the survival function has been estimated for the patients with lung cancer using different parametric estimation methods depending on sample for completing real data which explain the period of survival for patients who were ill with the lung cancer based on the diagnosis of disease or the entire of patients in a hospital for a time of two years (starting with 2012 to the end of 2013). Comparisons between the mentioned estimation methods has been performed using statistical indicator mean squares error, concluding that the estimation of the survival function for the lung cancer by using pre-test singles stage shrinkage estimator method was the best . <
... Show MoreThis paper is concerned with introducing and studying the first new approximation operators using mixed degree system and second new approximation operators using mixed degree system which are the core concept in this paper. In addition, the approximations of graphs using the operators first lower and first upper are accurate then the approximations obtained by using the operators second lower and second upper sincefirst accuracy less then second accuracy. For this reason, we study in detail the properties of second lower and second upper in this paper. Furthermore, we summarize the results for the properties of approximation operators second lower and second upper when the graph G is arbitrary, serial 1, serial 2, reflexive, symmetric, tra
... Show MoreIn this paper, we used four classification methods to classify objects and compareamong these methods, these are K Nearest Neighbor's (KNN), Stochastic Gradient Descentlearning (SGD), Logistic Regression Algorithm(LR), and Multi-Layer Perceptron (MLP). Weused MCOCO dataset for classification and detection the objects, these dataset image wererandomly divided into training and testing datasets at a ratio of 7:3, respectively. In randomlyselect training and testing dataset images, converted the color images to the gray level, thenenhancement these gray images using the histogram equalization method, resize (20 x 20) fordataset image. Principal component analysis (PCA) was used for feature extraction, andfinally apply four classification metho
... Show MoreIn this paper, game theory was used and applied to the transport sector in Iraq, as this sector includes two axes, the public transport axis and the second axis the private transport axis, as each of these axes includes several types of transport, namely (sea transport, air transport, land transport, transport by rail, port transport) and the travel and tourism sector, as public transport lacks this sector, as the competitive advantage matrix for the transport sector was formed and after applying the MinMax-MaxMin principle to the matrix in all its stages, it was found that there was an equilibrium point except for the last stage where the equilibrium point was not available Therefore, the use of the linear programming method was
... Show MoreWe introduce and discus recent type of fibrewise topological spaces, namely fibrewise bitopological spaces, Also, we introduce the concepts of fibrewise closed bitopological spaces, fibrewise open bitopological spaces, fibrewise locally sliceable bitopological spaces and fibrewise locally sectionable bitopological spaces. Furthermore, we state and prove several propositions concerning with these concepts.
We introduce and discuss the modern type of fibrewise topological spaces, namely fibrewise fuzzy topological spaces. Also, we introduce the concepts of fibrewise closed fuzzy topological spaces, fibrewise open fuzzy topological spaces, fibrewise locally sliceable fuzzy topological spaces and fibrewise locally sectionable fuzzy topological spaces. Furthermore, we state and prove several theorems concerning these concepts.
Csaszar introduced the concept of generalized topological space and a new open set in a generalized topological space called -preopen in 2002 and 2005, respectively. Definitions of -preinterior and -preclosuer were given. Successively, several studies have appeared to give many generalizations for an open set. The object of our paper is to give a new type of generalization of an open set in a generalized topological space called -semi-p-open set. We present the definition of this set with its equivalent. We give definitions of -semi-p-interior and -semi-p-closure of a set and discuss their properties. Also the properties of -preinterior and -preclosuer are discussed. In addition, we give a new type of continuous function
... Show MoreLet M be an R-module, where R is commutative ring with unity. In this paper we study the behavior of strongly hollow and quasi hollow submodule in the class of strongly comultiplication modules. Beside this we give the relationships between strongly hollow and quasi hollow submodules with V-coprime, coprime, bi-hollow submodules.