Lucknow, Uttar Pradesh, India

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    ABSTRACT: This paper presents a FACTS operation scheme to enhance the power system security. Three main generic types of FACTS devices are introduced. Line overloads are solved by controlling active power of series compensators and low voltages are solved by controlling reactive power of shunt compensators, respectively. Especially, the combined series-shunt compensators such as UPFC are applied to solve both line congestions and low voltages simultaneously. Two kinds of indices that indicate the security level related to line flow and bus voltage is utilized in this paper. They are iteratively minimized to determine operating points of the devices for security enhancement. The sensitivity vectors of the indices are derived to determine the direction of minimum. The proposed algorithm is verified on the IEEE 14-bus system with FACTS devices in a normal condition and in a line-faulted contingency.
    09/2015; DOI:10.1016/j.jesit.2015.03.013
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    ABSTRACT: A series of C–cyanovinylpyrrole containing aroylhydrazones (3a-c), derived from ethyl 2–cyano–3–(5–formyl–1H–pyrrol–2–yl)–acrylate and acid hydrazides: salicylhydrazide, isoniazid and 3,5–dinitrobenzohydrazide have been characterized by various spectroscopic techniques (1H NMR, 13C NMR, Mass, UV–Visible, Emission, FT–IR) and quantum chemical calculations. TD–DFT has been used to calculate the various electronic excitations and their nature. The emission spectra show that (3a-c) are good photoluminescent material due to intense emission at higher wavelength in yellow, green and blue region with high Stoke’s shift in the region 80-328 nm. The molar refractivity (MR) for (3a-c) is calculated as 109.28, 102.96, 119.14 esu, respectively. Natural bond orbital (NBO) analysis has been carried out to explore the various conjugative and hyperconjugative interactions within molecule and their second order stabilization energy (E(2)). Global electrophilicity index (ω = 5.41-8.11 eV) shows that (3a-c) molecules work as strong electrophiles. The local reactivity descriptors analyses such as Fukui functions (fk+, fk–), local softnesses (sk+, sk–) and electrophilicity indices (ωk+, ωk–) have been performed to determine the reactive sites within molecules. The first hyperpolarizabilities (β0) of (3a-c) have been computed and found to increase with electron withdrawing substituents.
    Arabian Journal of Chemistry 05/2015; DOI:10.1016/j.arabjc.2015.03.001
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    ABSTRACT: We have synthesized 2, 5-diformyl-1H-pyrrole)bis(methan-1-yl-1-ylidene)dimalonohydrazone (DPBMD) and characterized by elemental analysis, FT-IR, UV-Vis, Mass, 1H and 13CNMR spectroscopy. Theoretical calculations were performed by ab initio RHF and density functional theory (DFT) / B3LYP method, 6-31G(d,p) and 6-311++G(d,p) basis sets. The calculated scaled vibrational frequencies values have been compared with experimental FT-IR spectrum. The calculated result shows excellent agreement between experimental and calculated frequencies at B3LYP method and 6-311++G(d,p) basis set. The thermodynamics properties, NBO, nonlinear optical properties and mulliken charges of DPBMD have also been analyzed. Involvement of nitrogen [N8 / N18] and [N14 / N24] lone pairs of electron with [π∗(C9-O10), π∗(C6-N7) / π∗(C16-N17), π∗(C19-O20)] and [(π∗(C12-O13) / π∗(C22-O23)] leads to an enormous stabilization of 84.6 / 84.6 and 64.1 / 64.1 kcal/mol of the molecule. A combined experimental and theoretical stretching wavenumbers symmetric (3003, 3332 cm-1) and asymmetric (3276, 3398 cm-1) analysis confirms free NH2 groups in DPBMD. The calculated first hyperpolarizability (β0 = 5.80 x 10-30 esu) at B3LYP method and 6-311++G(d,p) basis sets indicates that DPBMD can be used as an attractive material for non–linear optical. The electronic descriptor analysis indicates that DPBMD is a good precursor for heterocyclic synthesis and as ligand for metal complex formation. The preliminary bioassay suggested that the DPBMD compound exhibits relatively good antibacterial and fungicidal activity against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Streptococcus pyogenes, Candida albicans, Aspergillus niger.
    Arabian Journal of Chemistry 04/2015; DOI:10.1016/j.arabjc.2014.10.050


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Journal of High Energy Physics 10/2011; 2011(10):007. DOI:10.1007/JHEP10(2011)007
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