Theoritical Investications on Molecular Structure Vibrational Spectra, Mulliken Atomic Charge, and HOMO-LUMO, Analysis of O-(salicyloyloxy) benzoic acid
The experimental FT-IR (4000 - 400 cm-1) and FT? Raman (3500 ? 100 cm-1) spectra of o-(salicyloyloxy) benzoiacid (OSBA) have been recorded. Quantum chemical calculation of energies, geometric, vibrational wave numbers of OSBA are carrier out using DFT/B3LYP method 6-31+G (d) and 6-311++G (d, p) basic sets. The optimized geometrical parameters obtained by B3LYP method shows a good agreement with experimental data. The complete vibrational assignments were performed on the basics of potential energy distribution (PED) of the vibrational modes calculated with scaled quantum mechanical method. The calculated HOMO and LUMO energies allow the calculation of atomic and molecular properties and they also show that charge transfer occurs in the molecule. Details of molecular picture of OSBA, Mulliken atomic charge and molecular electrostatic potential map, respectively
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Ultrasonic study of binary mixtures of sesame oil and ethyl ethanoate at different temperatures
The ultrasonic velocity and density are measured in binary mixture of ethyl ethanoate and sesame oil at 298.15K, 303.15K, 308.15K and 313.15K. Acoustical parameters such as isentropic compressibility, intermolecular free length, specific acoustic impedance, molar volume, available volume, volume at absolute zero, Van der waal’s constant, Rao’s Constant and Wada’s Constant have been evaluated. Except isentropic compressibility all the other calculated parameters shows decreasing trend with the increase in concentration of solvent and increase in temperature. The variation of these parameters with temperature and concentration are used to study the intermolecular interaction existing between the components of the mixture.
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Uncertainty of measurement :Literature review
Uncertainty of measurement has attracted more researchers in recent past. In this paper ,an attempt is made to review the status of literature in measurement uncertainty. The uncertainty of measurement is related to measurement and calibration process only. A very few literature are available related to uncertainty of measurement. A literature classification scheme is suggested. A number of articles from referred international journals and international conferences are classified based on various methodology (GUM, analytical approach and Monte-Carlo approach etc). The paper shows the country wise awareness in the field of uncertainty. The gap in the research are identified along with the scope of UOM in various application.
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Value of head teacher leadership proactiveness in private school management in Kenya: A review of literature
Since the year 2003 when Free Primary Education (FPE) was institutionalized in Kenya, there have been a myriad of challenges that have been associated with it in respect of adequacy, safety of students and teachers, inappropriateness, and presence or availability of vital aspects. Among these are; classrooms, textbooks, teachers, play fields, office space, school fencing, and support staff in public primary schools. Many authorities have attributed such a scenario to the non-committal nature of government to its FPE policy implementation through inadequate human and non-human resource allocation, poor quality and standards assurance mechanisms, and to inconsistent monitoring and evaluation programmes. In this respect, The 2010 Kenya Constitution stipulates a compulsory basic education, implicitly for all citizens aged 18 years and below, or in primary and secondary schools. In as much as several studies have revealed an increase in school retention rates and enhanced access to education, it has also been noted that vital school expected outputs such as learner discipline and academic (Kenya Certificate of Primary Education) performance have dwindled. The result has been relative public dissatisfaction as regards services offered in public primary schools in Kenya. It is noteworthy that the government seems to appreciate the factors underlying such inadequate performance in public primary schools in Kenya. This is seen in their strategic policies to ensure that the poorer public primary school output attain the same national secondary school educational opportunities with the better performing private primary school graduates in a favoured way, seemingly non-competitively. This better performance has led to increased demand for private primary school education in Kenya. From merely less than 20 by the mid 1980s, there has been a marked increase in establishment to over 1000 registered private primary schools spread across the length and breadth of Kenya, Makini School being among the premier in offering regular national curriculum in Nairobi City. These multiplicity of individual, company or group efforts to overcome challenges faced in government educational endeavours through private enterprise then demands competitive engagement of stakeholders to ensure better out-put to meet public expectation. Literature identifies leadership proactiveness, realized through a calculated combination of visibility, aggressiveness, assertiveness and innovativeness in management, as backbone to the desired institutional success. It also explains that a more proactive manager is more likely to remain afloat unlike his complacent peers given similar challenges in their rival organizations. Such success would be necessary for achievement of national goals of education given contribution of private primary school participation. Therefore, this presentation focuses on the value of headteacher leadership proactiveness in management of private schools.
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Various Techniques for PAPR Mitigation in OFDM System: A Survey
High peak-to-average power ratio of the transmit signal is a major drawback of multi-carrier transmission such as Orthogonal Frequency Division Multiplexing, which causes power inadequacy in Radio Frequency section of the transmitter. This paper describe some of the important PAPR reduction techniques for multi-carrier transmission including amplitude clipping and filtering, partial transmit sequence, selected mapping, and active constellation extension. Among various PAPR reduction techniques, neural network is the most powerful techniques in reducing the PAPR due its good generalization properties with flexible modelling and learning capabilities.
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Vibrational spectral analysis of 2,3,4,5,6-pentafluoroaniline by density functional theory studies
Vibrational spectral analysis of 2,3,4,5,6-pentafluoroaniline (PFA) was recorded using FT-IR and FT-Raman spectroscopic techniques in the region 4000-400 cm-1 and 3500-100 cm-1, respectively. The equilibrium geometry, and harmonic vibrational frequencies of PFA have been investigated with the help of HF/6-311++G(d,p) and B3LYP/6-311++G(d,p) methods. The observed and calculated frequencies are found to be in good agreement.
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Viscometric studies on the molecular interactions of diethyl malonate with higher alkanes
In this analysis , experimental values of densities (?) and dynamic viscosities (?) in the binary mixtures of n-hexane, n-heptane and n-octane with diethyl malonate are reported over the whole range of mixture composition at T = (303.15, 308.15, 313.15 and 318.15) K. From these data, deviations in viscosity (??) and excess Gibbs free energy of activation of viscous flow (?G*E) have been evaluated. These results were fitted to Redlich–Kister polynomial equations to estimate the fitting coefficients and standard deviation. The results of the viscosity composition are discussed in the light of various viscosity equations suggested by Grunberg-Nissan, Katti-Chaudhri, Heric-Brewer and Hind et al. The deviation of the experimental values of the viscosity of the mixture from the mole fraction mixture law rules, are found to be negative and follow the order n-hexane < n-heptane < n-octane. The experiments on the constituted binaries are analyzed to discuss the nature and strength of intermolecular interactions in these mixtures.
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Wealth creation through unit trust investment in Malaysia: case study
Almost all of us received our income either in the form of salary or profit through business activities. However we must always bear in mind that we cannot work or conduct our business activity for our entire life and there will be a point where we have to stop or retire. Thus it is very important for us to have a proper financial planning. Financial planning is most commonly associated with the main goal of achieving financial freedom which is achievable with a proper investment planning. Some people thought saving and investing are the same things. Nevertheless, each requires a different approach and a different way of judgment and consideration. Saving is usually associated with low risk, low return and sometimes a short term goal. Saving is simply putting aside some of our disposable income for a temporary period of time prior to achieving actual long term goal setting. Saving is a conservative outlay approach, taking very little risk with our money. A bank account or cash management trust is usually sufficient to reach the savings goal.
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Zoom FFT Algorithm in Ultrasonic Blood Flow Analysis Using MATLAB
An adequate blood supply is required for the normal functioning of all organs in the body. However this flow can be impeded due to several reasons, thrombus or clot being a major one. Detection of such clots is done with the help of an imaging technique called “DOPPLER ULTRASONOGRAPHY” by transmitting an ultrasound pulse and calculating the frequency of the received signal. If there is no clot the reception is always a homogenous signal, whereas if a certain part being sonographed has a clot the received signal shows a variance in frequency which depends upon the distance from the receiver. Hence blood clot detection in ultrasonography is based on obtaining the frequency variance and applying adaptive thresholding. In this work we propose a ZOOM FFT based technique followed by automated adaptive thresholding to detect the clot. Data files are synthesized by simulation in MATLAB. Also the entire system is developed in a Matlab environment for the system to be both simple and cost-effective. Experimental results show that the accuracy of the system is very high even under noisy conditions.
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A Case for Research Writing
In an age where existing boundaries of knowledge are constantly challenged by the culture of creativity, English Language Teaching has travelled far from being just a skill-based pedagogy and presented its audience with micro specializations among these skills. With the spread of English as the language of international research and publication, Research Writing as a genre has begun to assume enormous importance. Awareness of its generic features plays a vital role among non-native writers of English since their knowledge of writing in general does not grant them with the ability to handle requirements of research writing genre such as persuasion, argumentation, negotiation, discussion, presentation, etc…The present paper is an attempt to understand the global currency that Research Writing has gained.
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