An Erbium(III) quaternary chelate, nitratebis(2,4-hexanedionate)mono(2,2-bipyridine) erbium(III), has been synthesized and its structure elucidated by X-ray diffraction. There are two independent lanthanide complexes in the asymmetric unit cell. The ligands coordinate the Er(III) in a square anti-prismatic geometry. In the theoretical part of this study, semi-empirical quantum chemistry methods...

Regularities and systematic trends among the Stark widths of 18 Zr IV spectral lines obtained by modified semiempirical approach have been discussed. Also we compared those calculated Stark broadening parameters with estimates according to Cowley, Purić et al. and Purić and Šćepanović and checked the possibility to find some new estimates. It is demonstrated as well that the formula of Cowley (...

The presence of protostellar disks can greatly increase the dissipation during close stellar encounters, leading to the formation of a significant population of binaries during the initial collapse and virialization of a cluster. We have used N-body simulations of collapsing globular clusters to find the major factors that determine the efficiency of binary formation through star-disk captures....

Baylis' semiempirical method has been applied for calculating interatomic potentials and oscillator strengths as a function of internuclear separation of the thallium-noble gas systems. The new potentials for the four lowest molecular states of each diatomic have been compared with the corresponding ones deduced by Cheron et al. from the measurement of continuum emission intensities on the extr...

We report on three new types of nanoelectromechanical systems based on carbon nanotubes: an electromechanical nanothermometer, a nanorelay and a nanomotor. The nanothermometer can be used for accurate temperature measurements in spatially localized regions with dimensions of several hundred nanometers. The nanorelay is a prototype of a memory cell, and the nanoactuator can be used for transform...

The aquatic plant water hyacinth is a powerful tool for mediating pollution from aquatic environment. PM3 semiempirical method and FTIR spectroscopy was used to predicate the mechanism of pollution control. First the plant is subjected to acetic acid 0.1 M for 19 hours. FTIR proves that the plant is cellulose like material. Furthermore, the acetylated plant is looks like cellulose acetate. The ...

Empirical likelihood is developed for autoregressive models with innovations that form a martingale difference sequence. Limiting distributions of the log empirical likelihood ratio statistic for both the stable and unstable cases are established. Behavior of the log empirical likelihood ratio statistic is considered in nearly nonstationary models to assess the local power of unit root tests an...

Semi-empirical quantum chemistry methods offer a very interesting compromise between accuracy and computational load. In order to assess the performance of NDDO methods in the interpretation of terahertz spectra, the low frequency vibration modes of three crystalline materials, namely, polyethylene, poly(vinylidene fluoride) form II and α-D-glucose have been studied using the PM6 and PM7 Hamilt...