No abstract

One- and two-bond spin–spin coupling constants, 1J, 1hJ, and 2hJ across X–H···Y hydrogen bonds and isotropic chemical shift of bridging hydrogens have been computed for complexes formed from interaction between the parent nitrosamine (NA) and four preferential binding sites of the uracil (U) at B3LYP/6-311++G(2d,2p)//MP2/6-311++G(2d,2p) level of theory. All complexes are stabilized by two HU···Y and HNA···Y hydrogen bonds. The correlation between spin–spin coupling constants (1hJH···Y and 2hJX···Y) and isotropic chemical shifts with the binding energy, H-bond distance, red shift of vibration frequency, charge-transfer energy, and electron density at H-bond critical point were investigated at the above-mentioned level of theory. Change in nucleus-independent chemical shift of U ring upon complex formation was also calculated.

The study evaluates the spatial behaviors of women in urban public place through 'fear of crime' and 'public place functionality' factors; by using direct observations and questionnaire within the Grand Bazaar as a historical urban public place in the center of Kerman, which is located in the Southwest part of Iran. The study provides a particular perspective to the analysis and understanding of how women make decisions and behave in a spatial setting based on environmental psychology studies. This study applies combinational research methods including qualitative and quantitative approach, including analytical, descriptive, correlation, and logical reasoning methods. This study also conducts direct observation in order to search the strengths and weaknesses of Grand Bazaar as a public place. The results of the study reveal that there is a significant correlation between fear of crime and women's environmental perception of Grand Bazaar. Furthermore, the research findings indicate that the anxiety of being in less crowded parts of Bazaar is more tangible among women than men. On the other hand, the results show there is a significant correlation between time periods and women's activities in Grand Bazaar.