Experimental Spectroscopic (FTIR, FT-Raman), NBO and NLO Studies of 4, 5-Diphenylimidazole by DFT Method
This work presents the quantum chemical calculations and spectral techniques of 4, 5- Diphenylimidazole (DPI). The spectroscopic properties were investigated by FT-IR and FT-Raman. The FT-IR spectrum (4000–400 cm?1) and FT-Raman spectrum (3500–100 cm?1) in solid phase was recorded for DPI. The optimised geometry, harmonic vibrational frequencies have been investigated by DFT/B3LYP method with 6-31G (d) and 6-311G (d, p) basis sets. The difference between the observed and scaled wave number values of most of the fundamental is very small. Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. HOMO and LOMO energies were measured. The electric dipole moment (?D) and first hyperpolarizability (?tot) values of the investigated molecule were computed using ab initio quantum mechanical calculations. The calculated results also show that the DPI molecule may have microscopic nonlinear optics (NLO) behavior. Finally molecular electrostatic potential (MEP) also performed.
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Density functional theory studies on the molecular structure, vibrational spectral analysis of 4-chloro-3-(trifluoromethyl)aniline
Primarily, the vibrational spectroscopic signature of 4-chloro-3-(trifluoromethyl)aniline has been studied experimentally by means of FT-IR and FT-Raman techniques. The electron donating and electron withdrawing effects on the structure of aniline and effects of substituent positions on the vibrational spectra of the title molecule in comparison with similar kind of molecules have also been illustrated. The details about hyperconjugative interactions, HOMO-LUMO energy gap, and molecular electrostatic potential (MEP) surface analysis have been predicted with the help of theoretical density functional theory computations.
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Predicting quality of life based on psychological capital, emotional intelligence and participation in decision making in staff of National Iranian Oil Refining & Distribution Company
One of the objectives of positive psychology approach is identifying and defining concepts that help to provide individual's health, happiness and a healthy life. One of these concepts is quality of life which is predicted in this study based on three variable including psychological capital, emotional intelligence and participation in decision making. This research is correlational. The population of this study includes staff of National Iranian Oil Refining and Distribution Company who worked in 2013. 440 individuals were selected based on simple random sampling and responded to research questionnaires. Results pointed to a positive and significant relationship between emotional intelligence, participation in decision making and psychological capital with quality of life and these three variables predicted quality of life. Enhancement of emotional intelligence, participation in decision making and psychological capital will lead to increase in employee's quality of life.
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In Built Stress Analysis in Mobile Operating Systems
In this paper we are providing an idea of implementing stress analysis algorithms in the basic user interface of the operating system. There are four methods provided from which the user can be analyzed for stress levels by using general usage of his/her cell phone. The mobile device not just performs the task of stress analysis but it also notifies the user if the stress levels go above a critical limit and also notifies the related doctor if the patient ignores the constant notification by the cell phone.
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Modeling of Corona Effect in AC Transmission Systems
Corona effect has been considered as a source of substantial loss particular to High Voltage AC Transmission lines. The project report presents comprehensive account of development of a Matlab Simulink based model for the Corona Effect which is designed considering Peek’s equation. The model provides analysis of Corona loss impact on Transmission power in response to the variation in the factors on which Corona effect depends upon. The transmission power has been simulated to plot Corona losses based on variation in Temperature, Conductor Radius and Conductor spacing.
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Remote Microcontroller Based Monitoring of Substation and Control System Through GSM Modem
As complexity of distribution network has grown [7], automation of substation has become a need of every utility company to increase its efficiency and to improve quality of power being delivered [5]. The proposed project which is GSM cellular network based controlling of substation [5][12] will help the utility companies, by ensuring that their local-substation faults [8][9][10] are immediately realized and reported to their concerned departments via GSM, to ensure that duration of power interruption is decreased. The measured parameters will be sending in the form of SMS messages. The microcontroller will interact with the sensors installed at the local substation and perform task as commanded [3]. Electrical parameters like current, voltage will be compared continuously to its rated value [13] will help protect the distribution and power transformer from burning due to overload, short circuit fault, over voltages and surges. Under such conditions, entire unit is shut down via the control section comprising of relays sensing it, and immediately turning the circuit breaker off. SMS alerts can also be generated to indicate this. The use of GSM makes the substation intelligent [4] in the sense that it is able to transmit alerts and information and receive commands. This enables to reduce labor cost at substation and saves time. Thus the monitoring and working efficiency of the sub-station will drastically increase.
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An Appraisal of Integrated Ecosystem
Integrated ecosystem provides the use of biodiversity and ecosystem services into an overall strategy for helping people adapt to climate change. To date, insights into these approaches have often been based on reports from isolated anecdotal case studies. Though, these are informative, and provide evidence that people are using ecosystems to adapt, they provide rather limited insight in terms of measuring and evaluating the effectiveness of integrated ecosystem, especially when compared with technical or structural adaptation interventions. The body of scientific evidence indicating how effective such approaches are is lacking in some aspects. Where evidence does exist, it is often dispersed across a range of related fields, such as natural resource management, disaster risk reduction and agroecology. To date, there has been little attempt to systematically assemble and analyze this evidence. Therefore, evidence in respect of the merits or otherwise of integrated ecosystem is unknown and it has not been possible to identify prevailing knowledge gaps to inform further research and analysis, which will enable policymakers to compare integrated ecosystem with other adaptation options. Hence, this paper is emphasizing the identified gaps for further research purposes.
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Optical computing: an overview
Moore's Law has been greatly depended upon for the development of Electronic computers as they have also been regarded as traditional computers which cannot meet the high speed and bandwidth demands of the future. This led to the emergence of researchers in the field of computer engineering that began to work towards optical computing systems. Therefore, this paper seeks to examine optical computing as one of the major trends in Information Technology (IT) industry in the perspectives of its pros and cons towards recommendations that will further improve IT industry.
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A Critical Survey of Personal Cloud
From time to time, there is the need for a survey of different forms of computer services delivery. Personal Cloud computing is a technology which satisfies customers dynamic resource demands and makes the job easier to work on all platforms for the user. Cloud computing is the delivery of computing services over the Internet. Security is the main criteria when working on cloud, as the third party involvement will always be there. It is therefore recommended in this paper that secure architecture should be used to provide services through the cloud. The extensive use of virtualization in implementing cloud infrastructure brings unique security concerns for customers or tenants of a personal cloud service. It is observed that virtualization alters the relationship between the OS and underlying hardware -be it computing, storage or even networking. Hence, identified methods show how to overcome the security issues of the cloud.
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Energy Aware Load Balancing and Secure Continuous Aggregation for Wireless Sensor Networks
Load balancing using clustering can increase network scalability. This paper attempting to apply efficient techniques of load, energy and security such that network life can be increased with security and also its reliability. Continuous aggregation is required in sensor applications to obtain the temporal variation information of aggregates. It helps the users to understand how the environment changes over time and track real time measurements for trend analysis. Existing secure aggregation schemes conduct one individual verification for each aggregation result. Due to the high frequency and the long period of a continuous aggregation in every epoch, the false temporal variation pattern would incur a great communication cost. In this paper, we propose a clustering technique which will balance the load among the cluster by using some backup nodes. The backup high energy and high processing power nodes replace the cluster head after the cluster reaches to its threshold limit. This approach will increase the network lifetime and will provide high throughput and in the continuous aggregation, the attacker could manipulate a series of aggregation results through compromised nodes to fabricate false temporal variation patterns of the aggregates .We detect and verify a false temporal variations pattern by checking only a small part of aggregation results to reduces a verification cost. A sampling based approach is used to check the aggregation results and we also proposed a security mechanisms to protect the sampling process.
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