Electronic Properties of Aldehyde Complexes Using DFT for Electrooptical Activity

Characterization of materials infer for physical and chemical properties that depend on its molecular structure. Structure of molecule has its dependence on respective electrons of molecule under consideration occupying their positions that correspond to changes in density of electrons. Many theories of its kind were developed to study density of electrons with roots from wavefunction method and electron density method. Wavefunction method has its dependence with linear combination of atomic orbitals, Born approximation, variational principle ,potential energy surfaces for development of Huckel theory, Hartree fock self-consistent theory. Electron density method includes Ab-intio method and density functional theory is possible with Kohenberbg-Kohn existence theorem and Kohn Sham formalism. Density functional studies has diverted attention of researches for properties dependent on structure with use of quantum mechanical descriptors that influence chemical reactivity of molecule forming complexes with properties responsible for electrooptical activity. In the present work complexes with p-anisaldehyde were studied with set of anilines using Gaussian 16 package with B3LYP method. Studies in present work were analyzed from computed infrared spectra responsible for formation of complexes with shifts in wavenumbers; quantum mechanical descriptors for electronic properties. A feature of study is that complexes with p-nitroaniline have greater tendency influence on electronic properties responsible for electrooptical activity due to electrophilic nature.

Evaluation of Mishrif Reservoir in Abu Amood Oil Field, Southern Iraq

The main goal of this study is to evaluate Mishrif Reservoir in Abu Amood oil field, southern Iraq, using the available well logs. The sets of logs were acquired for wells AAm-1, AAm-2, AAm-3, AAm-4, and AAm-5. The evaluation included the identification of the reservoir units and the calculation of their petrophysical properties using the Techlog software. Total porosity was calculated using the neutron-density method and the values were corrected from the volume of shale in order to calculate the effective porosity. Computer processed interpretation (CPI) was accomplished for the five wells. The results show that Mishrif Formation in Abu Amood field consists of three reservoir units with various percentages of hydrocarbons that were concentrated in all of the three units, but in different wells. All of the units have high porosity, especially unit two, although it is saturated with water.

Analysis of Fatal and Injury Traffic Accidents in Istanbul Sarıyer District with Spatial Statistics Methods

Traffic accidents, which continue to increase from year to year in Turkey and in the world, have become a huge problem that can result in serious traumas, injuries, and deaths, as well as their material and moral consequences. Many studies have been carried out in the world and in Turkey to reduce the number of traffic accidents, but these studies have not been very effective in reducing accidents. In this study, 3105 fatal or injured traffic accidents between 2010–2017 in Sarıyer district of Istanbul, Turkey’s largest city in terms of population, were discussed. We analyzed the statistical information on the subject in detail within the framework of geographic information systems. It has been tried to determine the sections where traffic accidents are concentrated in this region with studies based on spatial methods. Thematic accident map was created according to the accident types. In this context, the advantages and disadvantages of these methods were compared using Point Density, Kernel Density, Getis Ord Gi*, and Anselin Local Moran’s I (LISA) Spatial Autocorrelation. In addition, in order to observe the change in accidents, thematic accident and Kernel Density maps were created separately according to accident occurrence types in the beginning and last year. From this point of view, the changes that occurred in the accidents were interpreted. The current study determined that the most accidents were on some streets and these streets divided into regions in a plan. The cases were examined with statistical analyses according to accident types and using the Kernel Density method. In addition, it has been observed that Kernel Density method gives better visual results than other spatial methods. In this study, spatial analysis and statistical analysis methods were used to evaluate traffic accidents more realistically. The day of the week effect and month of the year effect on traffic accidents was investigated for the first time. In addition, it is proposed to bring a new approach to the prevention of traffic accidents by using hotspot, accident type, and day of the week effect.