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...

learning a second or foreign language requires the manipulation of four main skills, namely, listening, reading, speaking, and writing which lead to effective communication. it is obvious that vocabulary is an indispensible part of any communication, so without a vocabulary, no meaningful communication can take place and meaningful communication relies heavily on vocabulary. one fundamental fac...

attempts have been made to study the thermodynamic behavior of 1,3 butadiene purification columns with the aim of retrofitting those columns to more energy efficient separation schemes. 1,3 butadiene is purified in two columns in series through being separated from methyl acetylene and 1,2 butadiene in the first and second column respectively. comparisons have been made among different therm...

Background: Food security is defined as access, for all people at all times, to enough food for an active and healthy life. Food security includes: 1) the ready availability of nutritionally-adequate and safe food, and 2) an assured ability to acquire acceptable foods in socially acceptable ways. The increase in childhood as well as adulthood obesity and food insecurity has caused many recent i...

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 ...

having conducted the experiment and analysed the data, the researcher computed the groups mean scores and variances for the test relating to the research question. as the final atep, a t-test was conodonted for the hypothesis. as noted earlier, the significance level was determined at .05 and .01 respectively. the observed t-value was higher than the critical t-value at. 5 and .01 levels. conse...

abstract the cr(iii) and zn(ii) complexes with 2-((9,10-dihydro-1-hydroxy-9,10-dioxaanthracen-4-yloxy)carbonyl)benzoic acid as ligand have been prepared by reacting cr(no3) and zn(no3)2 and ligand in cloroform. the cr and zn complexes with 2-((9,10-dihydro-1-hydroxy-9,10-dioxaanthracen-4-yloxy)carbonyl) were also prepared in chloroform and aceton solutions. the uv-visible and ft-ir spectra of...

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 ...