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...

in iran we already use laminate tubes only in cosmetics industry. laminate tube manufacturers via using the most modern technology of the world, faced with the laminate tube market being saturated in cosmetics industry for packaging the cosmetic creams and toothpaste. but considering the great food market and therefore laminate tube features such as beautiful packaging, ease of use for the fina...

the purpose of this study was to investigate the relationship between family functioning and marital adjustment humor couples are due to the nature and objectives of the research and application of methods for its implementation correlation was used. the study population consisted of all the couples in the city who uses random cluster sampling of 200 students were selected as sample. data from ...

in this research we have studied the effect of some transition-metals (cu, ag and au) substitutions on two-electron reduction potential of flavins by application of dft method. all geometries have been optimized at blyp level of theory and “6-31+g** + lanl2dz” mixed basis set. the frequency job at the same method and basis sets has been performed to obtain gibbs free energy of compounds. it h...

flow in natural river bends is a complex and turbulent phenomenon which affects the scour and sedimentations and causes an irregular bed topography on the bed. for the reason, the flow hydralics and the parameters which affect the flow to be studied and understand. in this study the effect of bed and wall roughness using the software fluent discussed in a sharp 90-degree flume bend with 40.3cm ...

abstract: country’s fiber optic network, as one of the most important communication infrastructures, is of high importance; therefore, ensuring security of the network and its data is essential. no remarkable research has been done on assessing security of the country’s fiber optic network. besides, according to an official statistics released by ertebatat zirsakht company, unwanted disconnec...

a large number of single research studies on the effects of strategy-based instruction (sbi) in teaching english as a foreign or second language has been conducted so far. however, the lack of a comprehensive meta-analysis targeting the effectiveness of english language sbi is observed. moreover, the findings of experimental studies regarding the context of the english language, proficiency lev...

peace and national security protection and ironic solving of international conflicts become the preliminary foundation of the united nations charter and had been considered as the main responsibilities of the security council, after world war ii and the establishment of united nations organization. therefore, the security council enables to analyze every kind of conflicts and challenges which ...

abstract this research is about a longitudinal case study of english morpheme acquisition by a persian speaking child l2 learner of english (2 .9-3).the goal of this research has been discovery of the child ‘s ability in acquiring of english morphemes in a persian context while only one person (the child’ s father)has been talking to her.this child has also been exposed to english languag...