The aims of this project are to investigate the effects of Isoniazid drug adsorption on the geometrical and electrical structure of pristine and Ni-doped Gallium nitride nanotube (GaNNTs). For this purpose, 24  different configuration models are considered  for adsorbing Isoniazid on the surface of nanotube and then all considered structures are optimized by using density function theory (DFT) ...

چکیده روش های متعددی برای برآورد رواناب حاصل از بارش در حوضه های آبریز وجود دارد. یکی از این روش ها استفاده از مدل های هیدرولوژیکی است. با استفاده از مدل های هیدرولوژیکی و شبیه سازی فرآیندهای هیدرولوژیکی می توان با صرف کمترین زمان و هزینه، رواناب و مولفه های دیگر چرخ? هیدرولوژیکی را برآورد کرد. از آنجا که در حوضه های آبریز اندازه گیری تمام کمیت های مورد نیاز برای تحلیل رواناب ممکن نیست، انتخاب...

abstract the influence of cation?? and anion?? interactions on the strength and nature of n…h hydrogen bond has been investigated by quantum chemical calculations in s-triazine…3hf complex. ab initio calculations were performed at mp2/6-311++g(d,p) level of theory. the natural bond orbital (nbo) analysis and the bader’s quantum theory of atoms in molecules (aim) were also used to elucidate t...

deployable scissor type structures are composed of the so-called scissor-like elements (sles), which are connected to each other at an intermediate point through a pivotal connection and allow them to be folded into a compact bundle for storage or transport. several sles are connected to each other in order to form units with regular polygonal plan views. the sides and radii of the polygons are...

there are many approaches for solving variety combinatorial optimization problems (np-compelete) that devided to exact solutions and approximate solutions. exact methods can only be used for very small size instances due to their expontional search space. for real-world problems, we have to employ approximate methods such as evolutionary algorithms (eas) that find a near-optimal solution in a r...

the purpose of this study was to examine the status of supervision on departments’ heads at ferdowsi university of mashhad (fum) and realize some applied themes to provide a fit model for supervising departments’ heads in fum. the method was case study under a research category aimed for applied one. using purposive sampling, interviews were conducted with top fum managers, head departments, an...

cognitive studies of translation process have recently been awarded a great deal of attention. there exists a psychological angle to almost all translation activities. the present study, thus, deals with analysing the relationships between iranian prospective translators tolerance for ambiguity (ta) and their willingness to translate (wtt). the research was conducted as a mixed methods study, d...