Quantum chemical studies on structure, non-linear optical (NLO) properties and HOMO-LUMO analysis of 6-amino-2,3-dihydro-1,4-phthalazinedione by ab initio and DFT calculations
In the present study, the FT-IR and FT-Raman spectra of 6-amino-2,3-dihydro-1,4-phthalazinedione (ADHPD) have been recorded in the region 4000-400 cm-1 and 3500-50 cm-1, respectively. The fundamental modes of vibrational frequencies of ADHPD are assigned. Theoretical information on the optimized geometry, harmonic vibrational frequencies, infrared and Raman intensities were obtained by means of Hartree-Fock (HF) and density functional theory (DFT) gradient calculations with complete relaxation in the potential energy surface using 6-311+G(d,p) basis set. The vibrational frequencies which were determined experimentally from the spectral data are compared with those obtained theoretically from ab intio HF and DFT/B3LYP calculations. A close agreement was achieved between the observed and calculated frequencies by refinement of the scale factors. The predicted first hyperpolarizability also shows that the molecule might have a reasonably good non-linear optical (NLO) behaviour. The calculated HOMO-LUMO energy gap reveals that charge transfer occurs within the molecule. Unambiguous vibrational assignment of all the fundamentals was made using the total energy distribution (TED).
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Ranking information system success factors in mobile banking systems with VIKOR
Mobile banking system plays a major role in mobile commerce. As wireless networks are existed, today new generation of electronic commerce applications are emerged and expanded, that are known as mobile commerce. In this field one of services that served in bank industry with cell phones is mobile banking. Although many studies have been conducted to assess users’ satisfaction with mobile applications, none has focused on ranking the effective alternatives. So the goal of this article is to extract the effective alternatives of user’s satisfaction and rank them with VIKOR. The research extract 42 alternatives based on Delone and McLean’s Revised Model and chooses 21 effective alternatives by expert’s ideas and then ranking them. VIKOR shows that data accuracy and security are ranked as first and second alternatives.
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Significance of web content creation in teaching Psychology among the B.Ed., trainees and their achievement
Web Content is a core component of e-learning and includes issues such as pedagogy and learning and includes issues such as pedagogy and learning object re-use. Pedagogical elements are an attempt to define structures or units of educational material. For example, this could be a lesson, an assignment, a multiple choice question, a quiz, a discussion group or a case study. These units should be format independent, so although it may be in any of the following methods, pedagogical structures would not include a textbook, a web page, a video conference or podcast. When beginning to create e-learning content, the pedagogical approaches need to be evaluated. Simple pedagogical approaches make it easy to create content, but lack flexibility, richness and downstream functionality. On the other hand, complex pedagogical approaches can be difficult to set up and slow to develop, though they have the potential to provide more engaging learning experiences for students, Somewhere between these extremes is an ideal pedagogy that allows a particular educator to effectively create educational materials while simultaneously providing the most engaging educational experiences for students
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Some results on k- even sequential harmonious labeling of graphs
Graham and Sloane [7] introduced the harmonious graphs and Singh & Varkey [11] introduced the odd sequential graphs. Gayathri and Hemalatha ( [2], [1]) introduced even sequential harmonious labeling of graphs. In [3], we extend this notion to k-even sequential harmonious labeling of graphs and further studied in [4-5]. Also we have introduced k-odd sequential harmonious labeling of graphs in [6]. Here, we investigate some results on k-even sequential harmonious labeling of graphs.
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Statistical optimization of process parameters for chromium (vi) removal from waste water
Interaction of various process parameters like initial chromium concentration (VI) (5-30 mg/l), pH (1-10), and adsorbent dosage (6-10 g/l) for chromium adsorption using custard apple powder were evaluated using central composite design (CCD) in response surface methodology. The CCD design in response surface methodology has been applied for designing the experiments as well as for full response surface estimation and 19 experimental data as per the model were used. The optimum conditions for better percentage removal of chromium from waste water with the concentration of 20 mg/l were as adsorbent dosage (9.9966 g/l), pH (2.7877) and initial chromium concentration (15.18693 mg/l). The high correlation coefficient (R2 =0.98929) between the model and the experimental data showed that the model was able to predict the better percentage removal of chromium (VI) from waste water using custard apple peel powder efficiently
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Structural and Optical properties of Nanostructured Porous Silicon for Ethanol gas sensing application
Porous Silicon (PS) layers were prepared by electrochemical etching in a single-tank cell on the surface of single-crystalline p-type (100) silicon wafers, using hydrofluoric acid (HF) and ethanol (C2H5OH) in the volume ratio of 1:2. The surface and cross-section morphologies of the PS were observed from images obtained using Scanning Electron Microscope (SEM). Likewise, the porosity of the PS sample was determined using the parameters obtained from SEM images by geometrical method. SEM images indicated that, the pores were surrounded by a thick columnar network of silicon walls. This porous silicon layer can be considered as a sponge like structure. The X-ray diffraction (XRD) pattern showed the growth of PS layer on silicon wafer and the grain size of the PS layer was found to be around 60.2 nm. The effective refractive index of porous silicon was calculated using Effective Medium Approximation (EMA) analysis. The optical properties of PS were investigated using Fourier Transform Infrared (FTIR) spectroscopy and Photoluminescence (PL). The surface chemical bonds of the PS were observed by FTIR and the band gap of the PS sample was obtained from PL spectra. The efficiency of ethanol gas sensing properties of PS was investigated at room temperature. The sensor was found to operate with maximum efficiency at a concentration of 100 ppm hence, this PS material can be used as an effective sensor element to detect ethanol vapour.
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Study of Ionospheric TEC Variability over Low, Mid and High Latitudes during Solar Maximum
Total electron content (TEC) is a key ionospheric parameter that describes the major impact of the ionosphere on the propagate on of radio waves which is crucial for terrestrial and space communication. The present investigation is dedicated to study the latitudinal variability of ionosphere. The study is carried out by taking three stations one each in low, mid and high latitude regions namely IISC, Bangalore, India (13.020 N, 77.570E), GUAO, Urumqi, China (43.820N, 87.600E) and NYAL, NY-Alesund, Norway (78.920N, 11.860E) respectively. To study the changes in the ionosphere at three selected station we have considered the GPS observations. The GPS derived TEC values have been collected from the SOPAC (Scripps Orbits and Permanent Array Center) data archive of the IGS (International GPS service). The study is carried out during the high solar activity period of 24th solar cycle i.e. during January 2012 to December 2012. We also studied the behaviour of ionospheric Total Electron Content (TEC) during the geomagnetic storms. We have selected 5 intense geomagnetic storms (Dst ? -100nT) that were observed during the year 2012. From our analysis we observed that TEC achieves its highest values during the months of October and March at low latitude, during the month of April and May at mid latitude and during the September and March at high latitude while the lowest values of TEC were recorded at all the station in December month. Similarly, the highest values of TEC are recorded during the equinox season while the lowest values are recorded in winter season.
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Synthesis, Characterization, DNA binding studies and biological activities of a copper II complex containing of 1,10 phenanthroline, L. Alanine and urea
A copper (II) complex, [cu(phen)(L-Ala)U](ClO4) (phen=1,10- phenanthroline, L-Ala =L-alanine,U =urea ), has been synthesized and characterized by Infra-red, EPR spectral and elemental analysis methods. The interaction with calf-thymus DNA has been studied by means of electronic absorption spectroscopy, emission spectroscopy, viscosity and cyclic voltammetry has been conducted to assess their interaction between their complex and DNA. A sample of copper II complex was tested for its Antimicrobial Activities and it was found to have good antimicrobial activities.
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The effect of leadership styles on organisational performance at state corporations in Kenya
This study investigated the main effects of leadership styles on organizational performance at state-owned corporations in Kenya. It specifically sought to determine the impact of laissez-faire, transactional and transformational leadership styles on organizational performance at state-owned corporations in Kenya. A descriptive survey research based on the perceptions of middle and senior managers in thirty (30) state-owned corporations based in Mombasa, Kenya was undertaken. A structured self-completed research questionnaire was thereafter distributed and collected after one week. The completed questionnaires were checked for plausibility, integrity and completeness resulting in 72 usable cases. Three independent variables with various factors were identified and measured using a five-point scale ranging from 1 (strongly disagree) to 5 (strongly agree). These were laissez-faire; transactional; and transformational leadership styles. The dependent factor was represented by the degree to which the organization has achieved its business objectives in the previous financial year. To discover the leadership styles that influence organizational performance, correlation analysis was employed. Correlations between the transformational-leadership factors and organizational performance ratings were high (0.518 to 0.696, P < .05), whereas correlations between the transactional-leadership behaviors and organizational performance were relatively low (0.219 to 0.375, P < .05). As expected, laissez-faire leadership style is not significantly correlated to organizational performance. Based on the findings, the following recommendations are given: managers should discard laissez-faire leadership style by becoming more involved in guiding their subordinates; public managers should formulate and implement effective reward & recognition systems. It was further recommended that managers should: strive to become role models to their subordinates; inspire subordinates by providing meaning and challenge to work; stimulate subordinate efforts to become more innovative & creative; and lastly, pay greater attention to each individual’s need for achievement and growth.
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The Effects of Code Switching on Language Learning
Code switching is defined as the practice of selecting or altering linguistic elements so as to contextualize talk in interaction (Nilep,2006). The main purpose of this study is to investigate and closely examine the role and the effects of code-switching on material learning in a classroom context and also students' attitudes towards this linguistic phenomenon. For this purpose, the students’ notes, which were taken from the teachers’ speech, were studied and then their written notes were analyzed qualitatively with a focus on code switching. Then, the questionnaire was distributed among participants to investigate their attitudes. According to the quantitative and qualitative data analysis obtained from the questionnaire –distributed among 60 participants – and the interview, code switching during delivering materials was completely helpful to the students' learning and also it helped them to remember better for their exams.
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