In order to study the variation of electronic properties, a set of bithiophene derivatives has been ‎developed. Here, the effect of substitution on the aromaticity properties of some cyclic ‎bithiophene derivative compounds was investigated using theoretical calculations. Calculations ‎were performed at B3LYP/6-31+G (d,p) level; and calculated properties included energy, dipole ‎moment, total c...

Several different approximations and techniques have been developed for the calculation of atomic structure, ionization, and excitation of atoms and ions. These techniques have been used to compute large amounts of spectroscopic data of various levels of accuracy. This paper presents a review of these theoretical methods to help non-experts in atomic physics to better understand the qualities a...

Bite force is one of the most utilized performance measures due to its association with feeding and consequently fitness. Due to their large size and the concomitant increase in the adductor muscles it is expected that apex predators may rely on high biting performance allowing for increased dietary breadth. Billfish are apex marine predators characterized by the extreme elongation of the upper...

Background The best way to assess the sobriety of a person is, of course, the direct analysis of blood sample collected at time of crime. But it is very often, that the driver that perpetrated the accident, escaped from the place of crime and the alcohol analysis is performed on blood samples taken several hours after he or she was involved in a motor vehicle accident or in some form of crime. ...

In this contribution we give a short overview of the situation in the precision calculation of the Bhabha process and we present a preliminary numerical result on the second-order sub-leading correction to the small angle Bhabha process. Presented by S. Jadach at Zeuthen Workshop, April 1996, Rheinsberg, Germany § Work supported in part by the US DoE contract DE-FG05-91ER40627, Polish Governmen...

reactants, reagents, and catalysts. A wide variety of performances of transition-metal catalysts are considerably dependent on the electronic states belonging to d-orbital electrons having dif ferent oxidative or spin states designed by coordinated ligands. To explore high-performance catalysts, analytical investigation based on electronic states is necessary, and theoretical calculations are i...