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Chennai, India

Sylaja B.,Dgvaishnav College | Srinivasan S.,Presidency College at Chennai
International Journal of ChemTech Research | Year: 2012

Semi embirical Austin Model 1, Ab initio and density functional computations of the vibrational IR spectrum and Molecular geometry were carried out on diazepam. The FTIR spectrum of diazepam was recorded in the region 4000-400 cm -1. Assignments were made in accordance with the calculated and experimental spectra. The observed IR spectrum agree well with the theoretically predicted spectra. The experimental geometry and wave numbers are compared with the results of theoretical calculations. Source


Sangeetha V.,Dgvaishnav College | Govindarajan M.,MGGA College | Kanagathara N.,Vel Tech Dr.RR & Dr.SR Technical University | Marchewka M.K.,Institute of Low Temperature And Structure Research | And 2 more authors.
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2014

A new organic-organic salt, 3-nitrophenol-1,3,5-triazine-2,4,6-triamine (2/1) (3-NPM) has been synthesized by slow evaporation technique at room temperature. Single crystal X-ray diffraction analysis reveals that 3-NPM crystallizes in orthorhombic system with centrosymmetric space group Pbca and the lattice parameters are a = 15.5150(6) Å, b = 12.9137(6) Å, c = 17.8323(6) Å, α = β = γ = 90 and V = 3572.8(2) (Å)3. The geometry, fundamental vibrational frequencies are interpreted with the aid of structure optimization and normal coordinate force field calculations based on density functional theory (DFT) B3LYP/6-311G(d,p) method. IR and Raman spectra of 3-NPM have been recorded and analyzed. The complete vibrational assignments are made on the basis of potential energy distribution (PED). The electric dipole moment, polarizability and the first order hyperpolarizability values of the 3-NPM have been calculated. 1H and 13C NMR chemical shifts are calculated by using the gauge independent atomic orbital (GIAO) method with B3LYP method with 6-311G (d,p) basis set. Moreover, molecular electrostatic potential (MEP) and thermodynamic properties are performed. Mulliken and Natural charges of the title molecule are also calculated and interpreted. Thermal decomposition behavior of 3-NPM has been studied by means of thermogravimetric analysis. The dielectric measurements on the powdered sample have been carried out and the variation of dielectric constant and dielectric loss at different frequencies of the applied field has been studied and the results are discussed in detail. © 2013 Elsevier B.V. All rights reserved. Source


Baboo S.S.,University of Madras | Vigneswari A.R.J.,Dgvaishnav College
International Journal of Engineering and Technology | Year: 2014

The paper deals with the computer based auto detection of particular species of sea turtles. In this process, three parameters have been taken and trained in artificial neural network for detecting the particular species among the popular seven species of the world. The existing algorithm for auto photo identification of detecting the particular species is much complicated due to classification process in the algorithm. To improve this algorithm, new technique has been used in feature extraction of the image and there are 10 images where trained and then finally particular species Olive Ridely is retrieved. These images are trained through artificial neural network and result of the images is plotted in the graphs. Source


Gayathri K.,Presidency College at Chennai | Krishnan P.,Presidency College at Chennai | Sivakumar N.,Presidency College at Chennai | Sangeetha V.,Dgvaishnav College | Anbalagan G.,Presidency College at Chennai
Journal of Crystal Growth | Year: 2013

Brucinium hydrogen maleate (BHM) has been synthesized by the chemical reaction method. The solubility of the synthesized material was determined in water, acetone and water-acetone mixed solvents. Based on the solubility studies, the single crystals of BHM were grown from the 4:5 water-acetone mixed solvent by the solvent evaporation method. The crystallinity of the grown crystals was proved from the single crystal and powder XRD data. BHM was found to crystallize in monoclinic symmetry with non-centrosymmetric space group P21. BHM crystals of size 12×4×3 mm3 were obtained in 20 days. The compound exhibits good physicochemical stability upto 237.78 C. Various thermodynamical parameters were calculated from the TG data. The UV transparency cutoff wavelength of BHM was found to be 215 nm and the complex is transparent (42%) over the entire range of visible region showing that it is a good candidate for NLO applications. The growth feature of the BHM single crystals was observed by etching studies, which reveals the formation of layer growth pattern. The dielectric behavior of the grown crystal was analyzed for different frequencies at different temperatures. The mechanical properties of the crystal were estimated by Vickers hardness test. © 2013 Elsevier B.V. Source


Muthusundari S.,Sathyabama University | Santhosh Baboo S.,Dgvaishnav College
Lecture Notes of the Institute for Computer Sciences, Social-Informatics and Telecommunications Engineering | Year: 2012

Generally, in encryption or decryption process some of the characters are inter changed by using some encryption and decryption algorithms with key.This paper puts focusing a safe mechanism for secured message passing to tackle the security problem of information. We propose a new technique to encrypt the text message by sorting technique. In our method, the encryption process which is carried out by the plain text is arranged in to alphabetical order by sorting procedure and produces the cipher text. The proposed encryption technique needs the ASCII value of the characters. This technique has two advantages over traditional schemes. First, the encryption and decryption procedures are very simple, and subsequently, much faster. Second, the security level is very high due to the ASCII value substitutions of alphabetic characters. In this paper, the encryption and decryption procedures are explained. © 2012 ICST Institute for Computer Science, Social Informatics and Telecommunications Engineering. Source

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