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...

there is no doubt that human being needs to become integrated with industry and industry needs to be progressed, daily. on the other hand, serious events in industrial units specially in oil industries has been shown that such damages and events are industry related ones. the consequence of such events and damages which resulted in chemical and poisoned explosions and loss of life and property ...

the images of muslims in media, literature and politics have been mostly black and white portrayals of a people alien to modernity, civilization, rationality and pluralism. since the end of the cold war and the onset of deadly terrorist attacks in different areas of the world, especially in the united states, these representations show a palpable difference: muslims are represented not only as ...

with the increasing population and the need for more food, as well as with the development of science and technology, human approach to unnatural and often chemical inputs to increase agricultural production has been a great expansion and problems such as increased cancers, chronic diseases has created environmental pollution. implementation of organic organic is a solution to these problems . ...

abstract the third millennium has started, but the world is facing with serious challenges in achieving international security and peace. various human rights violations have lead the states to find means to protect human rights. also article 55 of the united nations charter introduces the respect to human rights and fundamental freedom as the most suitable ways to realize peace and security. ...

the debate whether esp teachers need to have knowledge of the specialized field they are teaching has been an issue in the literature over the last two decades. the aim of conducting this study was to explore iranian learners’ and instructors’ beliefs and attitudes concerning the role of specialized knowledge in teaching esp classes. a seventeen item questionnaire was administered to 400 esp le...

wireless sensor networks (wsns) are one of the most interesting consequences of innovations in different areas of technology including wireless and mobile communications, networking, and sensor design. these networks are considered as a class of wireless networks which are constructed by a set of sensors. a large number of applications have been proposed for wsns. besides having numerous applic...

from 1950s onward, new theories and critical approaches burgeoned across humanities. these theories were context-oriented; as a result, the analysis of discursive practices gained significance. thus, social, political, historical and cultural discourses that have been hitherto marginalized and considered inferior to literary texts, were introduced as important texts to be analyzed by critics. o...

this research is a study on indicators of listening instruction in iranian english as a foreign language (efl) curriculum at guidance school and high school educational levels. this thesis aims at determining: a) the indicators of listening instruction at guidance school and high school efl curriculum. b) the indicators of listening instruction in irans guidance school and high school efl curri...