One of the factors that can be the link between our intentions and actions and their external consequences is human agency, which indicates the conscious design and intentional execution of actions by the individual in order to influence future events.Objective and Method: This research with a developmental approach of psychometric method and method 1, examines the psychometric indices of the Human Factor Characteristics Scale using the classical theory of test score measurement and the graduated question-answer theory. The purpose of this study, which included high school students in Tehran, was selected by cluster sampling of 500 people as a sample size and statistical analysis was performed on 481 data. To collect the data, the ion Human Agent Characteristics Scale (2011) was used and the research questions were evaluated using IRTPRO and SPSS software.Results:The assumption of local independence based on Pearson x2 index was established by applying Simjima's calibrated question-answer theory and the assumption of being one-dimensional based on the analysis of multidimensional question-answer theory. Diagnosis parameters with question-answer approach and classical approach Test score Both item 25 approach had the lowest and item 2 had the highest diagnosis parameter. The answer thresholds for all the questions were so far apart that no option was covered by the other option, and the options were independently selected by individuals at intervals of theta. The total scale was calculated with Cronbach's alpha of 0.945, intentionality of 0.894, foresight of 0.780, self-reactivity of 0.871 and rethinking of 0.762. Also, the role of each item in internal consistency was investigated by the loop method, which all questions had a favorable role in internal consistency of this scale. The value of the validity coefficient obtained from the question-answer theory was obtained by marginal method for intentionality 0.92, forethought 0.85, self-reaction 0.91, rethinking 0.83..

In the present work, adsorption and diffusion of oxygen (O) atom on uranium dinitride (UN2) is studied to map out the preferential UN2 (100) surface site. The first principle method based on density functional theory ((DFT)) within the generalized gradient approximation PBE and the covariant version energy functional PBE+U correction were used. The supercell approach and a coverage dependence of the adsorption structures and energetic were studied in detail for several monolayers’ (ML) range.Potential energy surfaces (PES) corresponding to the interaction between O atom and UN2 (100) on surface and subsurface for several sites and layers (Top U and Top N slabs) were calculated and favorable sites were identified with their maxima energy stable positions, which were then analyzed. For all positions, the PES show the same system behavior, when the O atom is sufficiently far from the UN2 surface, and the energy of the system tends to the sum of free UN2 slab and free oxygen atom energies. In return, when the distances decrease, strong interactions appear with presence of important potential wells. Calculation results showed that favored on-surface site for O atom adsorption were found to be near the bridge one for the UN (Top U slab) corresponding to five layers, uranium terminated and top one for (Top N slab) corresponding to six layers nitrogen terminated, the maximum system energy is situated at a position of about 1.2 and 1.5 A ° from the surface for the two layers types calculations respectively.For subsurface results, only Top N presents a favorable incorporation site at the hollow position and the penetration of O atom is about-0.5 Ao from the surface. (DFT)+ U study confirms all the results obtained by (DFT) calculations; that is, the maxima site positions for oxygen atom and the adhesion energy values per atom are of the same order of magnitudes. The adsorption energy per oxygen atom and the mean distance from the top surface gradually decrease with the coverage of O atoms for both on-surface cases, Top U and Top N slabs, with oxygen occupying the favorable site. For the Top N slab hollow site, the incorporation of oxygen through the surface becomes effective from a coverage of 3.8 ML with an encrustation of about-0.3 Ao.

The electronic structure of GC and AT stacked dinucleotides, in two different forms of DNA (B and Z) is studied, using density functional theory. B3PW91 basis functional with 6-31G** basis set is applied to investigate molecular orbital distributions and energy levels of stacked dinucleotides in B-DNA and Z-DNA. It is demonstrated that the distribution of molecular orbitals in GC dinucleotide, in B form of DNA, is different from those in Z form. While HOMO in B-DNA is localized on guanine base, in Z-DNA, it is dragged away from the base and spreads over DNA backbone as well. Moreover, the energy levels of orbitals are also different. For AT stacked dinucleotide, it is shown that HOMO in B-DNA is localized on phosphate-sugar backbone whereas in Z-DNA it is localized on thymine base. It is also noted that energy levels of molecular orbitals being localized on DNA backbone, are 0.8 eV less than that of HOMO energy level, indicating the active participation of phosphate-sugar backbone of B- and Z-DNA in chemical reactions.