Theoretical analysis of frontier orbitals,electronic transitions,and global reactivity descriptors of M(CO)4L2 type metal carbonyl complexes: a DFT/TDDFT study

Structural Chemistry - Metal carbonyl complexes, which have been known as effective catalysts since early days, find use in many fields both directly and indirectly. Although the use of metal...     

A Close Look at the Molecular Structure,Prototropic Behavior and Supramolecular Architecture of (E)-4-Bromo-2-[(phenylimino)methyl]-5-methoxyphenol by Spectroscopic,Crystallographic, and Computational Methods

Crystallography Reports - In this study, the molecular structure, prototropic behavior and supramolecular architecture of a new Schiff base have been studied in depth using spectroscopic (UV-vis),...     

On converse H-theorem

In the present paper the so-called weighting process is defined. Conditions on the weights implying the converse H-theorem are given. These conditions are satisfied by the iterated weighting process which contains, as a particular case, the Bayesian model for prediction and retrodiction given by S. Watanabe.     

Dynamic pricing and scheduling in a multi-class single-server queueing system

This paper investigates an optimal sequencing and dynamic pricing problem for a two-class queueing system. Using a Markov Decision Process based model, we obtain structural characterizations of optimal policies. In particular, it is shown that the optimal pricing policy depends on the entire queue length vector but some monotonicity results prevail as the composition of this vector changes. A numerical study finds that static pricing policies may have significant suboptimality but simple dynamic pricing policies perform well in most situations.     

Further Results for kth order Kantorovich Modification of Linking Baskakov Type Operators

In this paper we consider a non-trivial link between Baskakov type operators and their genuine Durrmeyer type modification as well as the kth order Kantorovich variant. Recursion formulas for the moments and the images of monomials are proved in order to derive asymptotic expansions. Furthermore we investigate convexity properties of the linking operators and the limiting behavior for certain function spaces.     

Well-posedness for a phase-field transition system endowed with a polynomial nonlinearity and a general class of nonlinear dynamic boundary conditions

This work is devoted to the study of a phase-field transition system of Caginalp type endowed with a general polynomial nonlinearity and a general class of nonlinear and nonhomogeneous dynamic boundary conditions (in both unknown functions). The existence, uniqueness and regularity of solutions are established. Here we extend several results proved by some authors, including the already studied boundary conditions, which makes the present mathematical model capable of revealing the complexity of a wide class of physical phenomena (for instance, phase change in Ω at the boundary of Ω).     

On whistling of pipes with a corrugated segment: Experiment and theory

Corrugated pipes are commonly used because of their local rigidity combined with global flexibility. The flow through such a pipe can induce strong whistling tones, which is an environmental nuisance and can be a threat to the mechanical integrity of the system. This paper considers the use of a composite pipe: a shorter corrugated pipe segment embedded between smooth pipe segments. Such a pipe retains some flexibility, while the acoustical damping in the smooth pipe reduces whistling tones. Whistling is the result of coherent vortex shedding at the cavities in the wall. This vortex shedding is synchronized by longitudinal acoustic waves traveling along the pipe. The acoustic waves trigger the vortex shedding, which reinforces the acoustic field for a critical range of the Strouhal number values. A linear theory for plane wave propagation and the sound production is proposed, which allows a prediction of the Mach number at the threshold of whistling in such pipes. A semi-empirical approach is chosen to determine the sound source in this model. This source corresponds to a fluctuating force acting on the fluid as a consequence of the vortex shedding. The functional form of the Strouhal number dependency of the dimensionless sound source amplitude is based on numerical simulations. The magnitude of the source and the Strouhal number range in which it can drive whistling are determined by matching the model to results for a specific corrugated pipe segment length. This semi-empirical source model is then applied to composite pipes with different corrugated segment lengths. In addition, the effect of inlet acoustical convective losses due to flow separation is considered. The Mach number at the threshold of whistling is predicted within a factor 2.     

From fractional exclusion statistics back to Bose and Fermi distributions

Fractional exclusion statistics (FES) is a generalization of the Bose and Fermi statistics. Typically, systems of interacting particles are described as ideal FES systems and the properties of the FES systems are calculated from the properties of the interacting systems. In this Letter I reverse the process and I show that a FES system may be described in general as a gas of quasiparticles which obey Bose or Fermi distributions; the energies of the newly defined quasiparticles are calculated starting from the FES equations for the equilibrium particle distribution. In the end I use a system in the effective mass approximation as an example to show how the procedure works.