in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...

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...

a semi-empirical mathematical model for predicting physical part of ignition delay period in the combustion of direct - injection diesel engines with swirl is developed . this model based on a single droplet evaporation model . the governing equations , namely , equations of droplet motion , heat and mass transfer were solved simultaneously using a rung-kutta step by step unmerical method . the...

abstract in this thesis at first we comput the determinant of hankel matrix with enteries a_k (x)=?_(m=0)^k??((2k+2-m)¦(k-m)) x^m ? by using a new operator, ? and by writing and solving differential equation of order two at points x=2 and x=-2 . also we show that this determinant under k-binomial transformation is invariant.

one of the applications of nanotechnology is use of carbon nanotubes for the targeted delivery of drug molecules. to demonstrate the physical and chemical properties of biomolecules and identify new material of drug properties, the interaction of carbon nanotubes (cnts) with biomolecules is a subject of many investigations. cnts is a synthetic compound with extraordinary mechanical, thermal, el...

this work is presented in five parts. in the first part preparation of the starting complex [pt(c^n)cl(dmso)], 1, in which c^n = n(1),c(2?)-chelated, deprotonated 2-phenylpyridine, and dmso = dimethylsulfoxide, and its reaction with 1 equiv of the biphosphine ligands bis(diphenylphosphino)amine, dppa, or bis(diphenylphosphino)methane, dppm, to give the complex [pt(c^n)cl(dppa)], 2, or [pt(c^n)c...

these days, all department stores make an effort to provide their clients with valuable products in order to project the best image for them. as a result, clients’ comprehension risk will decrease and they will be more willing to repurchase. having a good image is really important for the department stores because it makes an impression on clients’ comprehension of both quality and risk. consid...

introruction khawf in(iran)-herat and mazaresharif and shirkhan bandar in (afghanistan)-dushanbe in (tajikistan)_(kirgizstan)-kashghar in(china) project railway network is under construction that it is as a significant corridor for revitalizing silk road corridor in the region .at the present there are three different gauge in the region central asia with 1,520 mm gauge and turkey-islamic repu...

learning-oriented assessment seeks to emphasise that a fundamental purpose of assessment should be to promote learning. it mirrors formative assessment and assessment for learning processes. it can be defined as actions undertaken by teachers and / or students, which provide feedback for the improvement of teaching and learning. it also contrasts with equally important measurement-focused appro...

this study is an outlook of iranians religious practices and customs in eras such as nasser one. it attempts to answer the main question, "religious practices and ceremonies in the society during naseri ruling" and other subsidiary questions with scientific and historical theories. iran was a traditional and religious community . people abided by their religious practices and duties within reli...