<p> Department of Applied Physics</p><p>Research Activity Report (June 2013- December 2013)</p><p>Research activities of the faculty members:</p><p>Number of faculty in the Department :8 Number of faculty with Ph D qualification :5 Number of faculty pursuing Ph D :2</p><p>Papers published by the faculty members in National and International Journals:</p><p>S. Name of Faculty Title of the paper Name of the Journal Date No. 1 Dr. A. BHASKARAN STATSTICAL STUDY OF INTERNATIONAL Jr. OF NOV PHYSICO CHEMICAL CONTEMPORARY 2013 CHARACTERISTICS OF SCIENCE, ENGG AND GROUND WATER IN AND TECHNOLOGY, VOL. 3, AROUND VELLORE CITY, NO. 1-2, PAGE 69-78 TAMIL NADU, INDIA 2 Dr. A. BHASKARAN A STUDY OF GROUND WATER INTERNATIONAL Jr. OF NOV QUALITY IN THE BANK OF CONTEMPORARY 2013 RIVER PALAR, VELLORE SCIENCE, ENGG AND DISTRICT, TAMIL NADU, TECHNOLOGY, VOL. 3, INDIA NO. 1-2, PAGE 79-88 3 N.R. Sheela S. Muthu , S. Molecular orbital studies Spectrochimica Acta 2014 Sampathkrishnan (hardness, chemical potential Part A: Molecular and and electrophilicity), Biomolecular vibrational investigation and Spectroscopy 120 theoretical NBO analysis (2014) 237–251 of 4-40-(1H-1,2,4-triazol-1-yl methylene) dibenzonitrile based on abinitio and DFT methods 4 S.Renuga,S.Muthu Molecular structure, normal Spectrochimica Acta 2014 coordinate analysis, Part A: Molecular and harmonic vibrational Biomolecular frequencies, NBO, HOMO– Spectroscopy 118 LUMO analysis and (2014) 702–715 detonation properties of (S)-2-(2-oxopyrrolidin-1-yl) butanamide by density functional methods 5 S.Muthu, G.Ramachandran Spectroscopic studies (FTIR, Spectrochimica Acta 2014 FT-Raman and UV–Visible), Part A: Molecular and normal Biomolecular coordinate analysis, NBO Spectroscopy 121 analysis, first order hyper (2014) 394–403 polarizability, HOMO and LUMO analysis of (1R)-N- (Prop-2-yn-1-yl)-2,3-dihydro- 1H-inden-1- amine molecule by ab initio HF and density functional methods 6 S. Muthu , T. Rajamani , M. Vibrational and UV spectra, Spectrochimica Acta 2014 Karabacak , A.M. Asiri first order Part A: Molecular and hyperpolarizability, Biomolecular NBO and HOMO–LUMO Spectroscopy 122 analysis of 4-chloro-N-(2- (2014) 1–14 methyl-2,3- dihydroindol-1- yl)-3-sulfamoyl-benzamide 7 A. Prabakaran, Normal coordinate analysis, Spectrochimica Acta 2014 S. Muthu molecular structure, Part A: Molecular and vibrational and electronic Biomolecular spectral investigation of 7- Spectroscopy 118 (1,3-dioxolan-2-ylmethyl)- (2014) 578–588 1,3-dimethylpurine-2,6-dione by ab initio HF and DFT method 8 T. Rajamani Vibrational spectra, first Spectrochimica Acta 2013 S. Muthu order hyperpolarizability, Part A: Molecular and NBO, Fukui function Biomolecular and HOMO–LUMO analysis Spectroscopy 115 of 2-[4-(1,3-benzodioxol-5- (2013) 654–666 ylmethyl) -1-piperazinyl] pyrimidine 9 T. Rajamani , Electronic absorption, Spectrochimica Acta 2013 S. Muthu , vibrational spectra, nonlinear Part A: Molecular and M. Karabacak optical properties, NBO Biomolecular analysis and thermodynamic Spectroscopy 108 properties of N-(4-nitro-2- (2013) 186–196 phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods 10 M. Prasath Vibrational spectroscopy Spectrochimica Acta 2013 , S. Muthu investigation using ab initio Part A: Molecular and R. Arun Balaji and DFT vibrational analysis Biomolecular of 7-chloro-2-methylamino- Spectroscopy 113 5-phenyl-3H-1, 4- (2013) 224–235 benzodiazepine-4-oxide 11 S. Muthu FT-IR, FT-Raman spectra and Spectrochimica Acta Part 2014 M. Prasath, E. Isac Paulraj ,R. ab initio HF and DFT A: Molecular and Arun Balaji Biomolecular calculations Spectroscopy 120 (2014) of 7-chloro-5-(2- 185–194 chlorophenyl)-3-hydroxy-2,3- dihydro-1H-1, 4-benzodiazepin-2-one 12. S. Muthu Molecular orbital studies Spectrochimica Acta 2014 S. Renuga (hardness, chemical Part A: Molecular and potential, Biomolecular electronegativity and Spectroscopy 118 electrophilicity), vibrational (2014) 683–694 spectroscopic investigation and normal coordinate analysis of 5-{1-hydroxy-2-[(propan-2- yl)amino]ethyl}benzene-1,3- diol 13 S. Muthu Study of vibrational spectra, Spectrochimica Acta 2014 A. Prabakaran normal coordinate analysis Part A: Molecular and and molecular structure of 6- Biomolecular (2,3-dichlorophenyl)-1,2,4- spectroscopy 121 triazine-3,5-diamine using (2014) 420–429 density functional theory 14 S.Muthu, S.Renuga Vibrational and spectroscopic Spectrochimica Acta 2013 investigation on the structure Part A: Molecular and of 5H-dibenzo[b,f]azipine-5- Biomolecular carboxamide Spectroscopy 114 (2013) 1–10 15 V. Santhana Krishnan , Experimental and Spectrochimica Acta 2013 S. SampathKrishnan S. computational study on Part A: Molecular and Muthu molecular structure Biomolecular , S. Renuga and vibrational analysis of Spectroscopy 115 4,5-Bis(hydroxymethyl)-2- (2013) 191–201 methylpyridin -3-ol by normal coordinate treatment 16. S. Muthu , M. Prasath Quantum chemical studies, Spectrochimica Acta 2013 vibrational analysis, Part A: Molecular and molecular structure, Biomolecular first order hyper Spectroscopy 115 polarizability, NBO and (2013) 789–799 HOMO–LUMO analysis of 3-hydroxybenzaldehyde and its cation 17 E. Elamurugu Porchelvi , S. The spectroscopic (FT-IR, FT- Spectrochimica Acta Part A: 2014 Muthu Raman and NMR), NCA, Fukui Molecular and Biomolecular Spectroscopy 123 (2014) function 230–240 analysis first order hyperpolarizability, TGA of 6- chloro-3, 4dihydro-2H-1,2,4- benzothiazine-7- sulphonamide1,1-dioxide by ab initio HF and Density Functional method 18 S. Muthu , J. Uma Molecular structural, non- Spectrochimica Acta 2013 Maheswari , Tom Sundius linear optical, second order Part A: Molecular and perturbation and Fukui Biomolecular studies of Indole-3-Aldehyde Spectroscopy 106 using density functional (2013) 299–309 calculations 19 K.RAJU A study on acoustical Archives of Physics 2013 parameters for the Research characterization of artificially 2013, 4 (2):71-73 removed adult renal stones</p><p>20 Rubarani. P.Gangadharan Natural bond orbital (NBO) Acta Physica Polonica 2014 and S.Sampath Krishnan and population analysis 0f 1 a Vol 125, (2014) 18- Azanapthalene-8-0l 25 21 N.Swarna Sowmya, Pyrrolinium-2-Carboxylate-4- Acta. Cryst.E 69 (2013) 2013 Y.Vidyalakshmi. S.Sampath nitrophenol o1723 Krishnan, T.Srinivasan and D.Velmurugan 22 R.Kumutha, M.Thirumalai Experimental and Theoretical Elixier comp. chem. 2013 Kumar and S.Sampath investigation of 63(2013) 18536-18554 Krishnan spectroscopic properties of N-acetyl thiourea 23 G.Bharathy & S.Muthu INTERNATIONAL Jr. OF Solvation Analysis of CONTEMPORARY 2013 derivatives of pyrazinamide by SCIENCE, ENGG AND a Quantum mechanical method TECHNOLOGY, VOL. 3, NO. 1-2, PAGE 53-60</p><p>Papers presented by the faculty members in National and International conferences/ symposiums/ workshops:</p><p>S. No. Name of Title of the paper Name of the Conference/ Date Faculty symposium/ workshop 1 Dr. Many body perturbation National conference on 25- A.Anandavad theory and DFT soft Materials-13 27Oct.2013 ivel approach approach to Department of Physics, electronically excited Jadavpur University, poly(para phenulene) Kolkatta,WB</p><p>National and International Conferences/ symposiums/ workshops attended by the Faculty members: S. No. Name of Faculty Name of the Conference/ Place Date symposium/ workshop 1 Dr. A.Anandavadivel National conference on soft National 26.0ct. Materials-13 conference 2013 on soft Materials-13 Department of Physics Jadavpur University, Kolkatta</p><p>Research centre status of the department: Recognized by Anna University, Chennai</p><p>Sponsorship details of faculty and students: </p><p>Sponsorship for faculty members:</p><p>Faculty sponsored for presentation in National Conferences/ symposiums/ workshops: </p><p>S. Name of the Date Title of the Paper Name of the Venue Sponsors No Faculty Conferences/ hip symposiums/ Amount(R workshops s.) 1 Dr.A. 25-27 oct. Many body National Department of Rs.5000/- Anandavadivel 2013 perturbation conference on Physics theory and DFT soft Materials-13 Jadavpur approach University, approach to Kolkatta electronically excited poly(para phylene)</p><p>List of Scholars submitted their thesis/synopsis in research department of Physics- SVCE Name of the Guide Scholar Name Title Month of University Submission of Thesis/Synopsis Dr.S.Sampathkrishnan N.R.Sheela Spectroscopic Thesis Bharathiar investigation and submitted on University Quantum July’2013 Mechanical Viva Voce 0n computation of 7/2/2014 some organic Compounds Dr.S.Muthu T.Rajamani Vibrational Thesis Bharathiar spectroscopy and submitted on University molecular August’2013 modeling investigation on some pharmaceutical organic and biologically important materials Dr.S.Muthu E.Isac Paulraj Spectroscopic Thesis Manonmanium investigation and submitted on Sundaranar molecular August’2013 University modeling studies on some Pharmaceutical materias Dr.S.Muthu M.Prasath Molecular Thesis Manonmanium conformational submitted on Sundaranar analysis on some August’2013 University benzodiazepine Viva Voce on derivatives 14/2/2014 Dr.S.Muthu J.Uma Density functional Thesis SCSVMV maheswari theory solutions submitted on University, and vibrational Jan 2014 Kanchipuram spectral investigations of certain pharmaceutically important molecules Dr.S.Muthu A.Prabakaran Quantum Synopsis Bharathiar mechanical submitted on University computation and Feb 2014 experimental spectroscopy(FTIR. FTRaman, UV Visible) investigation on some pharmaceutical materials Dr.S.Muthu G.Ramachandran Vibrational Synopsis Bharathiar spectroscopy submitted on University investigation and Jan 2014 computational study on some Pharmaceutical compounds</p>