In this article, the optimized geometry, IR and UV spectra, frontier orbital analysis, natural bond orbital (NBO) analyses, and thermodynamic parameters of pomalidomide were investigated. The calculated structural parameters and stretching frequencies values are compared with experimentalvalues of the investigated compound. Also, the relations of the thermodynamic functions vs.temperatures were...

This research has been carried out to study and find a rather general description for a lone pairorbital in molecules. Since the orbital parameters must be manageable in advance, and correctgeometry of the molecule (bond lengths) is depend on the appropriate lone pair description; theFSGO method including optimization has been used to obtain orbital parameters and energy. Theproposed models for...

rehabilitation of facial defects is a complex task, requiring an individualized design of the technique for each patient. the disfigurement associated with the loss of an eye may result in significant physical and emotional problems. various treatment modalities are available, one of which is the use of implants. although implant-supported orbital prosthesis has a superior outcome, it may not b...

We introduce the orbital Stokes parameters as a linear combination of a beam's second-order moments. Similar to the ones describing the field polarization and associated with beam energy and its spin angular momentum, the orbital Stokes parameters are related to the total beam width and its orbital angular momentum. We derive the transformation laws for these parameters during beam propagation ...

A DFT study of the electronic properties of ansa-titanocene dichloride is reported. Molecular orbital analysis, polarizability, hyperpolarizability, thermodynamic analysis and natural bond orbital (NBO) theory are the main aim of the present research. The computed structural parameters show a good agreement with the similar experimental results. The calculated HOMO and LUMO energies show that c...

this research has been carried out to study and find a rather general description for a lone pairorbital in molecules. since the orbital parameters must be manageable in advance, and correctgeometry of the molecule (bond lengths) is depend on the appropriate lone pair description; thefsgo method including optimization has been used to obtain orbital parameters and energy. theproposed models for...

We present distributions of the orbital parameters of dark matter substructures at the time of merging into their host halo. Accurate knowledge of the orbits of dark matter substructures is a crucial input to studies which aim to assess the effects of the cluster environment on galaxies, the heating of galaxy disks and many other topics. Orbits are measured for satellites in a large number of N...

The orbital parameters of extra-solar planets have a significant impact on the probability that the planet will transit the host star. This was recently demonstrated by the transit detection of HD 17156b whose favourable eccentricity and argument of periastron dramatically increased its transit likelihood. We present a study which provides a quantitative analysis of how these two orbital parame...