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Carmel Vigila Bai G.M.,Rani Anna Government College for Women | Nithya Agnes R.,St Johns College
Pramana - Journal of Physics | Year: 2017

Nuclei in the actinide region are good in exhibiting cluster radioactivity. In the present work, the half-lives of α-decay and heavy cluster emission from certain actinide nuclei have been calculated using cubic plus Yukawa plus exponential model (CYEM). Our model has a cubic potential for the overlapping region which is smoothly connected by a Yukawa plus exponential potential for the region after separation. The computed half-lives are compared with those of other theoretical models and are found to be in good agreement with each other. In this work, we have also studied the deformation effects on half-lives of cluster decay. These deformation effects lower the half-life values and it is also found that the neutron-rich parent nuclei slow down the cluster decay process. Geiger-Nuttal plots for various clusters are found to be linear and most of the emitted clusters are α-like nuclei.


Shenbagavalli R.,Rani Anna Government College for Women
Proceedings - 2014 International Conference on Intelligent Computing Applications, ICICA 2014 | Year: 2014

This paper analyses the Heterogeneous pattern of soil using fractal dimension and fractal Lacunarity. Box-counting method is used to calculate the fractal dimension and fractal lacunarity of soil texture. In this paper, 200 samples of 128x128 size of both color and Binary images of different soil textures have been analyzed. It shows that the homogeneous texture shares the same fractal dimension value with low lacunarity and heterogeneous texture has different scaling value with high lacunarity thus proving the property of fractal dimension. © 2014 IEEE.


Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Sakiladevi S.,Ar Engineering College | Mythili C.V.,Rani Anna Government College for Women | Mohan S.,Hawasa University Main Campus
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2012

The FT-IR (4000-400 cm -1) and FT-Raman (4000-100 cm -1) spectral measurements and complete assignments of the observed spectra of 2-amino-4-methylbenzothiazole (2A4MBT) have been proposed. Ab initio and DFT calculations have been performed and the structural parameters of the compound were determined from the optimised geometry with 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets and giving energies, harmonic vibrational frequencies, depolarisation ratios, IR intensities and Raman activities. 1H and 13C NMR spectra were recorded and 1H and 13C nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO, LUMO and band gap energies were measured by time-dependent DFT (TD-DFT) approach. The geometric parameters, energies, harmonic vibrational frequencies, IR intensities, Raman activities chemical shifts and absorption wavelengths were compared with the available experimental data of the molecule. The influences of methyl and amino groups on the skeletal modes and on the proton chemical shifts have been investigated. © 2011 Elsevier B.V. All rights reserved.


Lakshmi Praba V.,Rani Anna Government College for Women | Vasantha T.,Manonmaniam Sundaranar University
Applied Soft Computing Journal | Year: 2014

Existing PageRank algorithm exploits the Hyperlink Structure of the web with uniform transition probability distribution to measure the relative importance of web pages. This paper proposes a novel method namely Proportionate Prestige Score (PPS) for prestige analysis. This proposed PPS method is purely based on the exact prestige of web pages, which is applicable to Initial Probability Distribution (IPD) matrix and Transition Probability Distribution (TPD) matrix. This proposed PPS method computes the single PageRank vector with non-uniform transition probability distribution, using the link structure of the web pages offline. This non-uniform transition probability distribution has efficiently overcome the dangling page problem than the existing PageRank algorithm. This paper provides benchmark analysis of ranking methods: PageRank and proposed PPS. These methods are tested with real social network data from three different domains: Social Circle:Facebook, Wikipedia vote network and Enron email network. The findings of this research work propose that the quality of the ranking has improved by using the proposed PPS method compared with the existing PageRank algorithm. © 2014 Elsevier B.V.


Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Rani T.,PRIST University | Mythili C.V.,Rani Anna Government College for Women | Mohan S.,Hawasa University
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2011

A systematic vibrational spectroscopic assignment and analysis of benzohydrazide (BH) has been carried out by using FTIR and FT-Raman spectral data. The vibrational analysis were aided by electronic structure calculations - ab initio (RHF) and hybrid density functional methods (B3LYP and B3PW91) performed with 6-31G(d,p) and 6-311++G(d,p) basis sets. Molecular equilibrium geometries, electronic energies, IR intensities, harmonic vibrational frequencies, depolarization ratios and Raman activities have been computed. Potential energy distribution (PED) and normal mode analysis have also been performed. The assignments proposed based on the experimental IR and Raman spectra have been reviewed and complete assignment of the observed spectra have been proposed. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO and LUMO energies and λmax were determined by time-dependent DFT (TD-DFT) method. The geometrical, thermodynamical parameters and absorption wavelengths were compared with the experimental data. The interactions of carbonyl and hydrazide groups on the benzene ring skeletal modes were investigated. © 2011 Elsevier B.V. All rights reserved.


Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Isaac A.S.R.,Madurai Kamaraj University | Rani T.,PRIST University | Mythili C.V.,Rani Anna Government College for Women | Mohan S.,Hawasa University
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2011

The Fourier transform infrared (FTIR) and FT-Raman spectra of 2-chloro-6-methoxypyridine have been recorded in the range 3700-400 and 3700-100 cm-1, respectively. The complete vibrational assignment and analysis of the fundamental modes of the compound was carried out using the observed FTIR and FT-Raman data. The vibrational frequencies determined experimentally were compared with the theoretical frequencies computed by DFT gradient calculations (B3LYP method) employing the 6-31G(d,p), cc-pVTZ and/6-311++G(d,p) basis sets for the optimised geometry of the compound. The geometry and normal modes of vibration obtained from the DFT methods are in good agreement with the experimental data. The normal co-ordinate analysis was also carried out using DFT force fields utilising Wilson's FG matrix method. The influence of the substituents bulky chlorine atom and the methoxy group on the spectral characteristics of the compound has been discussed. The electronic spectrum determined by TD-DFT method is compared with the observed electronic spectrum. © 2011 Elsevier B.V. All rights reserved.


Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Balamourougane P.S.,PRIST University | Mythili C.V.,Rani Anna Government College for Women | Mohan S.,Hawasa University
Journal of Molecular Structure | Year: 2011

The solid phase FTIR and FT-Raman spectra of 2-amino-5-chlorobenzoxazole have been recorded in the regions 4000-400 and 3500-100 cm-1, respectively. The spectra were interpreted in terms of fundamentals modes, combination and overtone bands. The normal coordinate analysis was carried out to confirm the precision of the assignments. The structure of the compound was optimised and the structural characteristics were determined by density functional theory (DFT) using B3LYP method with 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets. The molecular properties were also determined by HF/6-311++G(d,p) level. The vibrational frequencies were calculated in all these methods and were compared with the experimental frequencies which yield good agreement between observed and calculated frequencies. The infrared and Raman spectra were also predicted from the calculated intensities. 1H and 13C NMR spectra were recorded and 1H and 13C nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. UV-Visible spectrum of the compound was recorded and the electronic properties HOMO and LUMO energies were measured by time-dependent TD-DFT approach. The geometric parameters, energies, harmonic vibrational frequencies, IR intensities, Raman activities chemical shifts and absorption wavelengths were compared with the available experimental data of the molecule. The influences of chlorine atom and the amino group on the skeletal modes and on the proton chemical shifts have been investigated. © 2011 Elsevier B.V. All rights reserved.


Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Raj A.,Kanchi Mamunivar Center for Post Graduate Studies | Mythili C.V.,Rani Anna Government College for Women | Mohan S.,Hawasa University Main Campus
Journal of Molecular Structure | Year: 2013

Detailed structural and vibrational investigations of 5-benzimidazole carboxylic acid have been carried out with FTIR and FT-Raman spectral techniques. The electronic structure of the molecule has been analysed by 1H and 13C NMR spectroscopies. The DFT studies were carried out with B3LYP method utilising 6-31G**, 6-311++G** and cc-pVTZ basis sets to determine the structural, thermodynamical, vibrational, electronic characteristics of the compound and also to understand the electronic and steric influence of the carboxylic group on the skeletal frequencies. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. The extreme limits of the electrostatic potential is +1.435e × 10-2 and -1.435e × 10-2. The frontier orbital energy gap in the case of 5BICA is found to be 5.2742 eV. In 5BICA molecule, the lone pair donor orbital, nN→ πCN * interaction between the N1 lone pair and C2N3 antibonding orbital is seen to give a strong stabilisation of 43.32 kJ mol-1. © 2012 Elsevier B.V. All rights reserved.


Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Mythili C.V.,Rani Anna Government College for Women | Mageswari K.,Kanchi Mamunivar Center for Post Graduate Studies | Mohan S.,Hawasa University
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2011

The FT-IR (4000-400 cm-1) and FT-Raman (4000-100 cm -1) spectral measurements of benzamide oxime and complete assignments of the observed spectra have been proposed. Ab initio and DFT calculations have been performed giving energies, optimized structures, harmonic vibrational frequencies, depolarization ratios, IR intensities, Raman activities and atomic displacements. Furthermore, force field calculations have been performed by normal coordinate analysis. Force field calculations showed that several normal modes are mixed in terms of the internal coordinates. A complete assignment of the observed spectra, based on spectral correlations, electronic structure calculations and normal coordinate analysis, has been provided. © 2010 Elsevier B.V. All rights reserved.


Vigila Bai G.M.C.,Rani Anna Government College for Women | Parvathiy J.U.,Sri Sarada College for Women
Pramana - Journal of Physics | Year: 2015

Analysing accurately the lifetimes of α-decay chains is an important tool to detect and study the properties of superheavy nuclei. 48Ca is used in the synthesis of superheavy nuclei Z = 106-118 at Dubna. The experimental work of 48Ca projectiles at Dubna has given an opportunity to study the superheavy element (SHE). Here, the α-decay properties for Z = 106-118 are evaluated using our CYE model and are compared with the available experimental and theoretical values. © Indian Academy of Sciences.

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