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The dihydrogen complex Ru(H2)2H2(P(C5H9)3)2 has been investigated, via ab initio accelerated molecular dynamics, to elucidate the H ligands dynamics and possible reaction paths for H2/H exchange. We have characterized the free energy landscape associated with the H atoms positional exchange around… |
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We deal with the numerical evaluation of the Hilbert transform on the real line by a Gauss type quadrature rule. The convergence and the stability of the method are investigated. The goodness of the numerical results for practical applications is examined. |
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The sparse multivariate method of simulated quantiles (S-MMSQ) is applied to solve a portfolio optimization problem under value-at-risk constraints where the joint returns follow a multivariate skew-elliptical stable distribution. The S-MMSQ is a simulation-based method that is particularly useful… |
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The non-inertial flow of a shear thinning fluid between intersecting planes is studied using a multi-parameter continuation technique. Unlike the classical linearly viscous fluid, it is found that boundary layers develop even in the case of non-inertial flows in both converging and diverging flow.… |
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We consider the problem of testing for additivity in the standard multiple nonparametric regression model. We derive optimal (in the minimax sense) non- adaptive and adaptive hypothesis testing procedures for additivity against the composite nonparametric alternative that the response function… |
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In this paper, we propose a hybrid lattice Boltzmann method (HLBM) for solving fluid-structure interaction problems. The proposed numerical approach is applied to model the flow induced by a vibrating thin lamina submerged in a viscous quiescent fluid. The hydrodynamic force exerted by the fluid on… |
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The optical medium analogy of a given spacetime was developed decades ago and has since then been widely applied to different gravitational contexts. Here we consider the case of a colliding gravitational wave spacetime, generalizing previous results concerning single gravitational pulses. Given… |
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In this paper we are interested in the polynomial Krylov approximations for the computation of phi(A)upsilon, where A is a square matrix, v represents a given vector, and. is a suitable function which can be employed in modern integrators for differential problems. Our aim consists of proposing and… |
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An efficient approach to the calculation of the E-entropy is proposed. The method is based on the idea of looking at the information content of a string nf data hv annalyzing the signal only nt thp instants when the fluctuations are larger than a certain threshold is an element of, i.e., by looking… |
