The Department of Physics has been recognized as a Research centre by Anna University, Chennai, for conducting Ph.D. Programmes

The Department of Applied Physics department is recognised as a Research centre by Anna University, Chennai, for carrying out research work.

Currently one faculty member of the department are carrying out doctoral research work at the research centre housed within the department.

Many scholars from other colleges are carrying out their doctoral research work at the research centre as a part time and full time programme.

The following faculty members of the department are recognised to supervise research work under ANNA University, Chennai.

The following facilities are available in our Research Lab.

Research Publications

YEAR 2016

  

  1. Swarna Sowmya,N., Sampath Krishnan, S.Sudhahar S.,Krishnan kumar, M., & Mohankumar R., (2016) “Synthesis, growth, structural, optical, thermal, dielectric and mechanical studies of piperidinium p-nitrophenolate signal crystal “ Optik, Vol 127, PP 3024-3029,
  2. Balamurugan N., Sampath Krishnan, S., Charanya C., (2016) " Vibrational Spectroscopic study of N-(4-(1-Hydroxy 2-((1-Methyl ethyl) Amino) Ethyl) Phenyl) Methane Sulfonamide Crystal structure of 2- Phenyl- ethanminium 3- Carboxprop- 2-enoate” Spectroscopy & Spectral analysis Vol 356 No 3 PP 880-886
  3. Krithivasan, R., Brahadeeswaran.S., Santha, KR., Sampath Krishnan, S., Senthil, T.s., (2016) “Structural and Electrical properties of ZnO nanorod based dye sensitized solar cell “, Journal of advances in Chemistry, Vol.12 , PP 4275-4280
  4. Charanya, C., Sampath Krishan, S., & Balamurugan, N.,(2016)  “ Natural bond orbitial (NBO) , Natural Population analysis, Mulliken analysis of atomic charges of L . Alaniuim Oxalates,  Spectroscopy and Spectral analysis, Vol 36, No 8, PP 2721-2724
  5. Balamurugan, N., Sampath krishnan, S., Charanya,C., (2016) “Natural Bond Orbital (NBO) , Natural Population Analysis, Muliken analysis of Atomic Charges of 2-((2,3- Dimethylphenyl) Amino} Benzoic Acid” Spectroscopy and Specreal analysis , Vol 36, No 4 PP 1273-1276.
  6. Sampath Krishnan, S & Kalpana Rajan, S., (2016) “ effect of Gadolinium on the properties and photo – catalytic application of ZnO nano Crystals” “, Journal of advances in Chemistry, Vol.12 , PP 4290-4294

 

 

YEAR 2015

  1. Balamurugan1, N., Charanya, C. Sampath Krishnan, S. & ,Muthu, S.,(2015) “Molecular structure, vibrational spectra, first order hyper polarizability, NBO and HOMO–LUMO analysis of 2-amino-5-bromo-benzoic acid methyl ester” , Spectrochimica Acta Part A, Vol. 137, pp 1374-1386,

  1. Rubarani p. Gangadhara, & Sampath Krishnan, S., (2015)First order hyperpolarizabilty NPA and Fukui functionof Cyclohexane by density functional theory method. (2015)” Acta Physica Polonica A , Vol. 127, pp 1117-1121.

  1. Swarna Sowmya N., Sampathkrishnan, S., Vidyalakshmi, Y.,Sudhahar,& S.,Mohan Kumar, S., (2015)” Synthesis, growth, structural, thermal and optical studies of pyrrolidinium-2-carboxylate-4-nitrophenol single crystals Spectrochimica Acta Part A, Vol. 145, pp 333-339.

  2. Muthu,S., & Prabhaakaran, A., (2015) “Scaled Quantum Chemical Studies of the Molecular Structure and Vibrational Spectra of Minoxidil”, Spectroscopy Letters. Vol. 48, pp 63-77.

  3. Uma Maheswari, & J., Muthu, S.,Tomas Sundius, “QM/MM methodology, docking and spectroscopic (FT-IR/FT-Raman, NMR, UV) and Fukui function analysis on adrenergic agonist Spectrochimica Acta. Vol. 137, pp 841-855,2015.

  4. Bhavani,K., Renuga, S., & Muthu,S., Sankaranarayanan,K., (2015) “Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2-acetoxybenzoic acid by density functional methods”, Spectrochimica Acta. Vol. 136, pp 1260-1268.

  5. ElamuruguPorchelvi,E & Muthu, S., (2015)Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, thermodynamic analysis and normal coordinate analysis of Salicylaldehydep-methylphenylthiosemicarbazone by density functional method” Spectrochimica Acta Vol. 134, pp 453-464.

  6. Shahidha,A., Abdulaziz A. Al-Saadi., & Muthu, S., (2015) “Vibrational spectroscopic studies, normal co-ordinate analysis, first order hyperpolarizability, HOMO–LUMO of midodrine by using density functional methods”, Spectrochimica Acta , Vol. 134, pp 127-142.

  7. Muthu,S., ElamuruguPorchelvi, E.,Karabacak,M., Asiri,A.M., Sushmita & S. Swathi., (2015)” Synthesis, structure, spectroscopic studies (FT-IR, FT-Raman and UV), normal coordinate, NBO and NLO analysis of salicylaldehydep-chlorophenylthiosemicarbazone”, J.Mol. Struct.,, Vol.1081, pp 400-412.

  8. Swarnalatha, N.,Gunasekaran,S., Muthu, S.,& Nagarajan, M., (2015), Molecular structure analysis and spectroscopic characterization of 9-methoxy-2H-furo[3,2-g]chromen-2-one with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations, ”, Spectrochimica Acta , Vol. 137, pp 721-729.

  9. Muthu,S., Elamuruguporchelvi,E., & Anitha Varghese,(2015)”, DFT electronic structure calculations, spectroscopic studies, and normal coordinate analysis of 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate”, Spectrochimica Acta , Vol. 138, pp 743-752.

  10. NoureddineIssaoui, HoucineGhalla ,,Muthu , S., & H.T. Flakus, BrahimOujia., (2015) “Molecular structure, vibrational spectra, AIM, HOMO–LUMO, NBO, UV,first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree–Fock and density functional theory”, Spectrochimica Acta , Vol. 136, pp 1227-1242.

  11. Sheela,N.R., Muthu,S., &Sampathkrishnan, S.,Abdulaziz A. Al-Saadi, (2015) “Normal co-ordinate analysis, molecular structural, non-linear optical, second order perturbation studies of Tizanidine by density functional theory”, Spectrochimica Acta , Vol. 139, pp 189-199.

  12. Swarnalatha, N., Gunasekaran S., & Muthu, S. (2015), “ Experimental and theoretical investigation of spectroscopic properties of acitretin, Indian journal of Science, Vol. 14., PP 43-62.

YEAR 2014

  1. Rubarani p. Gangadhara, & Sampath Krishnan, S., (2014) Natural bond orbital (NBO) and population analysis 0f 1 Azanapthalene-8-0l, Acta Physica Polonica A , Vol. 125, pp 18-25,

  2. Rubarani p. Gangadharan, & Sampath Krishnan, S., (2014) Experimental and Computational Study on Molecular Structure andVibrational Analysis of Hydroxybenzopyridine Using DFT Method”, Asian journal of Chemistry, Vol. 26,No 15.,pp 4571-4581.

  3. Balamurugan, N., Charanya, C. & Sampath Krishnan, S., (2014) Molecular Structure, Vibrational Spectra, Theoretical NBO andHOMO-LUMO Analysis of Bi-Glycine Hydrobromide by DFT Method”, Asian journal of Chemistry, Vol. 26,No 15.,pp 4259- 4261.

  4. Kumutha, R..,Sampath Krishnan, S. & Thirumalai kumar, M., (2014) “ Computational Studies on 2(2-Hydroxyphenyl)-N-phenyl Nitrone, Spectroscopic Investigation, Oriental Journal of chemistry,Vol 30. No 4, PP 1905-1912.

  5. Renuga.S & Muthu, S., (2014)” Molecular structure, normal coordinate analysis, harmonic vibrational frequencies, NBO, HOMO–LUMO analysis and detonation properties of )S)-2-(2-oxopyrrolidin-1-yl) butanamide by density functional methods Spectrochimica Acta Part A, Vol. 118, pp 702-715,

  6. Muthu, S.& Ramachandran. G.,, (2014)” Spectroscopic studies (FTIR, FT-Raman and UV–Visible), normal coordinate analysis, NBO analysis, first order hyper 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”, Spectrochimica Acta Part A, Vol. 121, pp 394-403.

  7. Muthu, S., Rajamani., Karabacak, & Asiri.A.M(2014)” Vibrational and UV spectra, first order hyperpolarizability,NBO and HOMO–LUMO analysis of 4-chloro-N-(2-methyl-2,3- dihydroindol-1-yl)-3-sulfamoyl-benzamide”, Spectrochimica Acta Part A, Vol. 122, pp 1-14.

  8. Prabhakaran A & Muthu, S., (2014)” Normal coordinate analysis, molecular structure, vibrational and electronic spectral investigation of 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione by ab initio HF and DFT method”, Spectrochimica Acta Part A, Vol. 118, pp 578-588,2014.

  9. Muthu, S.., Prasath,M ., Isac Paulraj.E, & ArunBalaji.R, FT-IR, FT-Raman spectra and ab initio HF and DFT calculationsof 7-chloro-5-(2-chlorophenyl)-3-hydroxy-2,3-dihydro-1H-1,4-benzodiazepin-2-one”, Spectrochimica Acta Part A, Vol. 120, pp 185-194.

  10. Muthu, S. & Renuga.S, (2014)” Molecular orbital studies (hardness, chemical potential,electronegativity and electrophilicity), vibrationalspectroscopic investigation and normal coordinate analysi of 5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol”, Spectrochimica Acta Part A, Vol. 118, pp 683-694.

  11. Muthu, S & , Prabhakaran A., (2014)” Study of vibrational spectra, normal coordinate analysis and molecular structure of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine using density functional theory”, Spectrochimica Acta Part A, Vol. 120, pp 420-429.

  12. ElamuruguPorchelvi,E. & Muthu, S., (2014)” The spectroscopic (FT-IR, FT-Raman and NMR), NCA, Fukui function analysis first order hyperpolarizability, TGA of 6-chloro-3, 4dihydro-2H-1,2,4-benzothiazine-7- sulphonamide1,1-dioxideby ab initio HF and Density Functional method , Spectrochimica Acta Part A, Vol. 123, pp 230-240.

  13. Muthu, S. & Uma Maheswari, J.,(2014)” Molecular docking,Spectroscopic studies and quantum calculation on nootropic drug”, Spectrochimica Acta Part A, Vol. 123, pp 503-510.

  14. Muthu, S. & Renuga, S., (2014)Vibrational spectra and normal coordinate analysis of 2-hydroxy-3-(2-methoxyphenoxy) propyl carbamate”, Spectrochimica Acta Part A, Vol. 132, pp 313-325.

  15. Muthu, S ., Ramachandran, G., Isac Balraj. E.,& Swaminathan, T. (2014)Quantum mechanical study of the structure and spectroscopic (FTIR, FT-Raman), first-order hyperpolarizability and NBO analysis of 1,2-benzoxazol-3-ylmenthane sulfonamide” ”, Spectrochimica Acta Part A, Vol. 128, pp 603-613.

  16. Shahidha,R. & Muthu, S.., ElamuruguPorchelvi,E., Govindarajan, M., (2014) Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of 5-methyl-N-[4-(trifluoromethyl) phenyl]-isoxazole-4-carboxamide using density functional method”, Spectrochimica Acta Part A, Vol. 132, pp 142-151.

  17. Sakthivel,S., Alagesan,T., Abdulaziz A. Al-Saadi, Renuga, & S., Muthu, S., (2014) Vibrational spectra of 3,5-diamino-6-chloro-N-(diaminomethylene) pyrazine-2-carboxamide: Combined experimental and theoretical studies”, Spectrochimica Acta Part A, Vol. 127, pp 157-167.

  18. Muthu,S & Prabhaakaran, A., (2014) Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method”, Spectrochimica Acta Part A, Vol. 129, pp 184-192,.

  19. Renuga, S., Karthikesan,M. &, Muthu, S., (2014) “FTIR and Raman spectra, electronic spectra and normal coordinate analysis of N,N-dimethyl-3-phenyl-3-pyridin-2-yl-propan-1-amine by DFT method Spectrochimica Acta Part A, , Vol. 127, pp 439-453.

  20. Sheela, N.R., S., Sampath Krishnan., & Muthu,S (2014) “Molecular orbital studies (hardness, chemical potential and electrophilicity), vibrational investigation and theoretical NBO analysis of 4-40-(1H-1,2,4-triazol-1-yl methylene) dibenzonitrile based on abinitio and DFT methods”, Spectrochimica Acta Part A, Vol. 120, pp 237-251.

  21. Raju K, Rakkappan C & Karpagavalli K, (2014) “Effect of n-alkylamines on micellisation of aqueous sodium dodecyl sulphate solutions through ultrasonic measurements”Chemical Science Transactions, Vol.3 No.2, pp 494.- 497.

  22. Meena S, Raju K & Kannappan A.N, (2014) Ultrasonic studies of ternary mixtures of n-alkanols in ethylmethacrylate and benzene at various temperatures” Chemical Science Transactions, Vol. 3, No 4 pp1372-1377.

  23. Raju K, Karpagavalli K, Krishnamurthi P & Meena S,, (2014) ‘Ultrasonic studies on molecular interactions in the binary mixtures of n-butanol with acetone and ethyl methyl ketone’ , European Journal of Applied Engineering and Scientific Research, Vol. 3 No 3 pp 5-8,2014

  24. Swarna Sowmya N,S., Sampath Krishnan, S., Sudhahar,S., Chakkaravarthi, G.,& Mohan Kumar, R., (2014) “ Crystal structure of piperidinium4- nitrophenolate”, Acta Cryst., E70, pp559-561.

  25. Swarna Sowmya N, S., Sampath Krishnan, S., Sudhahar,S., Mohan Kumar, & Chakkaravarthi, G,(2014) “ Crystal structur of 2 – Phenylethyaminium 4-nitrophenolate monohydrate”, Acta Cryst., E70, o1280..

  26. Rubarani P. Gangadharan, & Sampath Krishnan, S.,(2014), “ salvation analysis of derivatives of nitrones by quantum Mechanical method”, Intenational Journal of innovative Research of Science & Engineering, Vol. 2 SI 1, pp 743-753.

  27. Muthu, S.,& Prabakaran, A., Scaled Quantum Chemical Studies of the Molecular structure and Vibrational Spectra of Minoxidil, Spectroscopy letter, Vol. 48 pp. 63-73.




YEAR 2013

  1. Sampath Krishnan, S .Balamurugan.N, Kumutha.R & Mahalakshmi.S, (2013)” Solubility studies of haloglycine by quantum mechanical methods”, Asian journal of Chemistry, Vol. 25,No 4.,, pp 2007-2011.

  2. Santhana Krishnan.V, Sampath Krishnan.S., Muthu.S, & Renuga.S., (2013) “Experimental and computational study on molecular structure and vibrational analysis of 4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol by normal coordinate treatment”, Spectro chimica Acta Part A, Vol. 115, pp 191-201.

  3. Narayana Swarna Sowmya, Yechuri Vidyalakshmi, Sadasivam, & Sampath Krishnan, S., (2013)” Thothadri Srinivasan & Devadasan Velmurugan., “Pyrrolinium-2-Carboxylate-4-nitrophenol”, Acta. Cryst.E, Vol. 69, pp o1723.

  4. Kumutha.R,Thirumalai Kumar.M, & Sampath Krishnan, S., (2013)” Experimental and Theoretical investigation of spectroscopic properties of N-acetyl thiourea”, Computational . chemist\ry Vol.63, pp18536-18554.

  5. Hariharasuthan.R, Nageswara rao.A, & Bhaskaran, A., (2013)Adsorption Studies On Reactive Blue 4 By Varying The Concentration Of Mgo In So rel’s Cement”, The International Journal Of Engineering And Science (Ijes), Vol 2 , No 1, pp 287-292,2013.

  6. Rajamani. T, & Muthu, S., (2013) “Electronic absorption, vibrational spectra, non-linear optical properties, NBO analysis and thermodynamic properties of 9-[(2-hydroxyethoxy) methyl] guanine molecule by density functional method” ,Solid State Sciences,Vol. 16,90-101.

  7. Muthu, S & Uma maheswari J, (2013)Tom Sundius.,Molecular structural, non-linear optical, second order perturbation and Fukui studies of Indole-3-Aldehyde using density functional calculations” , Spectrochimica Acta Part A,Vol. 106, pp 299-309.

  8. Muthu, S. & Isac Paulraj.E, (2013)Spectroscopic and molecular structure (monomeric and dimeric structure) investigation of 2-[(2-hydroxyphenyl) carbonyloxy] benzoic acid by DFT method: A combined experimental and theoretical studyJournal of Molecular Structure” Vol. 1038, pp 145-162.

  9. Isac Paulraj.E & Muthu, S., (2013) Spectroscopic studies (FTIR, FT-Raman and UV), potential energy surface scan, normal coordinate analysis and NBO analysis of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol by DFT methods” Spectrochimica Acta Part A, Vol. 108, pp 38-49.

  10. Muthu, S. Ramachndran, & Renuga.S, (2013)”Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman), first-order hyperpolarizability, NBO and HOMO–LUMO analysis of S-S-2 methylamino-1-phenyl propan-1-ol”, Spectrochimica Acta Part A, Vol. 107, pp 386-398.

  11. Ramachandran.G, Muthu, S, & .Uma Maheshwari.J, (2013)” Density functional theory and Ab initio studies of vibrational spectroscopic (FT-IR, FT-Raman and UV) first order hyperpolarizabilities, NBO, HOMO–LUMO and TD-DFT analysis of the 1,2-Dihydropyrazolo (4,3-E) Pyrimidin-4-one”, Solid State Sciences,Vol. 16, pp 45-52.

  12. Rajamani. T, Muthu, S. & Karabacak.M.,(2013)” Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods”, Spectrochimica Acta Part A, Vol. 108, pp 186-196.

  13. Muthu, S., Prasath.M, & Arun Balaji.R.,(2013)Experimental and theoretical investigations of spectroscopic properties of 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine”, Spectrochimica Acta Part A, Vol. 106, pp 129-145.

  14. Isac Paulraj.E & Muthu, S., (2013) Molecular structure analysis and spectroscopic characterization of 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations”, Spectrochimica Acta Part A, Vol. 106, pp 310-320.

  15. Muthu, S. & Isac Paulraj.E (2013) “Solvation analysis of halogenated 4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8- carboxamide”, Asian Journal of chemistry, Vol. 25,No 1, pp 161-164..

  16. Sarojini.K,H.Krishnan, Charles C kanagam & Muthu, S., (2013) “Synthesis, structural, spectroscopic studies, NBO analysis, NLO and HOMO–LUMO of 4-methyl-N-(3-nitrophenyl)benzene sulfonamide with experimental and theoretical approaches”, Spectrochimica Acta Part A, Vol. 108, pp 159-170.

  17. Sarojini.K, H.Krishnan, Charles C kanagam, & Muthu, S., (2013)Molecular Structure, Vibrational Spectroscopy and Homo, Lumo Studies of 4-methyl-N-(2-methylphenyl) benzene sulfonamide using DFT method”, Advanced Materials research -Trans Tech Publications, Switzerland, Vol. 665, pp 101-111.

  18. Uma maheswari J, & Muthu, S., Tom Sundius (2013) “An experimental and theoretical study of the vibrational spectra and structure of isosorbide dinitrate”, Spectrochimica Acta Part A, Vol. 109, pp 322-330.

  19. Muthu, S..,Uma Maheswari, J.,& Tom Sumdius, (2013) Quantum Mechanical, Spectroscopic Stusies ( FT-IR,FT-Raman, NMR, UV) and Normal Coordinate analysis on 3-(2-(dimeinomethyleneamino) Thiazol-4 Yl)] Methyl thioua)-N’ –Sulfamoylpropanimidamide”, Spectrochimica Acta Part A,V 108, pp 307-318.

  20. Rajamani, T. & Muthu, S., (2013) Vibrational spectra, first order hyperpolarizability, NBO, Fukui function and HOMO–LUMO analysis of 2-[4-(1,3-benzodioxol-5-ylmethyl) -1-piperazinyl] pyrimidine ,Spectrochimica Acta Part A, Vol. 115, pp 654-666,.

  21. Muthu, S.,Uma maheswari J, Srinivasan.S,& Isac paulraj.E, (2013) Spectroscopic studies, Potential energy surface and molecular orbital calculation of pramipexole”, ,Spectrochimica Acta Part A, Vol. 115, pp 64-73,.

  22. Prasath.M & Muthu, S. Arun Balaji.R, (2013)” Vibrational spectroscopy investigation using ab initio and DFT vibrational analysis of 7-chloro-2-methylamino-5-phenyl-3H-1, 4-benzodiazepine-4-oxide”, ,Spectrochimica Acta Part A, Vol. 113, pp 224-235,

  23. Muthu, S. & S.Renuga, (2013) Vibrational and spectroscopic investigation on the structure of 5H-dibenzo[b,f]azipine-5-carboxamide”, Spectrochimica Acta Part A, Vol. 114, pp 1-10,.

  24. Muthu, S & Prasad, M., (2013) Quantum chemical studies, vibrational analysis, molecular structure, first order hyper polarizability, NBO and HOMO–LUMO analysis, of 3-hydroxybenzaldehyde and its cation”, Spectrochimica Acta Part A, Vol. 115, pp 789-799.

  25. Muthu, S & E.Isac Paulraj, (2013) Molecular Structure and Spectroscopic Charaterization of ethyl 4-aminobenzoate with experimental techniques and DFT quantum chemical calculation”, Spectrochimica Acta Part A, Vol. 112, pp 169-181.

  26. Muthu, S., & Elamurugu Porchelvi.E (2013)FTIR,FT-Raman, NMR Spectra, Normal Co-ordinate analysis,NBO, NLO and DFT calculation of N,N diethyl -4-methylpiperazine-1-carboxamide molecule”, Spectrochimica Acta Part A, Vol. 115, pp 275-286.

  27. Muthu, S. & Elamurugu Porchelvi.E (2013) Experimental Spectroscopic (FTIR,FT-Raman,FT-NMR,UV-Visible) and DFT studies of 1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8 napthyridine-3 –carboxylic acid”, Spectrochimical Acta Part A, Vol. 116, pp 220-235,.

  28. M.Prasath & Muthu, S.,(2013) Vibrational Assignments, First –order Hyperpolarizability and Molecular Structure of 5-(2-Chlorophenyl)-&-nitro-2,3-dihydro-1,4-benzodiazepine-2-one by Hartree-Fock and Density Functional Theory Calculation”, Indian journal of Chemistry, Vol. 25,No 12.,, pp 6771-6776.

  29. Raju, K. & Karpakavali, K., (2013) A study on acoustical parameters for the characterization of artificially removed adult renal stones”, Archives of Physics Research,Vol 4 No 2, 71-73,

  30. Sheela., N.R., Sampath Krishnan, S , M.Thirumalai kumar & Muthu, S (2013) “Synthesis, spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order 3 hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2(2-Hydroxyphenyl)-N-(4-Methylphenyl) Nitrone”, Spectrochimica Acta Part A, Vol. 109, pp 272-281.

  31. Sheela N.R, Sampath Krishnan, S & M.Thirumalai kumar , Muthu, S , (2013) Quantum mechanical study of the structure and spectroscopic, first order hyperpolarizability, Fukui function, NBO, normal coordinate analysis of Phenyl-N-(4-Methyl Phenyl) Nitrone”, Spectrochimica Acta Part A, Vol. 112, pp 62-67.


YEAR 2012

  1. Santhana Krishnan, V., Sampath Krishnan, S., Swarna Sowmya,N. &,Kumutha,R., (2012)“ Vibrational Spectra and ab initio studies of L-Prolyl L-Isoleucine”, Asian Journal of Chemistry., Vol. 24 No 3, pp. 2533-2536..

  2. Rubarani.P, Gangadaran & Sampath Krishnan, S., (2012” Lattice heat capacity of crystal : A q-oscillator Debye model”, Advances in Applied Science Research, Vol. 3, No 5, pp 2636-2642,.

  3. Sampath Krishnan, S.,Balamurugan.N, Kumutha.R & Vidyalakshmi., Muthu.S (2012)” Growth and Characterization of new non linear optical Bis-Glycine Hydro Bromine(BGHB) single crystal”,Journal of Mineral and Material Charterzation Vol. 11, No 6, pp 597-607.

  4. Sampath Krishnan, S Kumutha,R., .Balamurugan ,& N Santhana Krishnan, V., (2012) “ Computational molecular characterization of Thiourea and its derivatives”, Asian Journal of Chemistry., Vol. 24 No 3, pp 4878-4882.

  5. Punithavathi,L.,., Bhaskaran, A. & Dhiviyaa Pranavam , T.S, (2012) Statstical study of physico chemical characteristics of ground water in and around vellore city, tamil nadu, india”, International jr. of contemporary science, engg and technology, Vol. 3, No 1-2, pp 69-78.

  6. Punithavathi,L.,., Bhaskaran, A. & Dhiviyaa Pranavam , T.S, (2012) A study of ground water quality in the bank of river palar, vellore district, tamil nadu, india, International jr. of contemporary science, engg and technology, Vol. 3, No 1-2, pp 79-88.

  7. Muthu, S. & Umamaheswari, J., (2012) “Quantum Mechanical study and spectroscopic (Ft-IR, FT-Raman, NMR, UV study, first order hyperpolarizability , NBO analysis , Homo and LUno analydis of 4-(4-aminobenzene) aniline ab initio HF and Density functional method”, Spectrochimica Acta Part A,Vol. 14, pp 154-163.

  8. Muthu, S. Ramachandiran.G & Umamaheswari, J., (2012), Vibrational spectroscopic investigation on the structure of 2-ethylpyridine-4-carbothioamide”, Spectrochimica Acta Part A,Vol. 93, pp 214-222.

  9. Prabakaran.A, & Muthu, S., (2012) “Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid using ab initio HF and DFT method” Spectrochimica Acta Part A,Vol. 90, pp 90-96.

  10. Muthu, S Prasath.M, Arun Balaji.R, & Umamaheswari, J. (2012) “Thermochemical investigations and vibrational spectroscopic studies of1, 4‐benzodiazepines using ab initio and DFT methods” Annals of Faculty Engineering –Hunedoara, Tome X, Facicule 3 , pp 399-406.

  11. Sarojini.K.,Krishnan.H, Charles C.Kanakam & Muthu, S., (2012) “Synthesis, X-ray structural, characterization, NBO and HOMO–LUMO analysis using DFT study of 4-methyl-N-(naphthalene-1-yl)benzene sulfonamide” Spectrochimica Acta Part A,Vol. 96, pp 657-667.

  12. Raju, K., Karpagavalli, & Krishnamurthi.P,(2012) Ultrosonic studies of molecular interactions in the solutions of poly( propylene glycol) 400 in N-alkanols”, European journal of Applied engineering and Scientific Research”, Vol. 1, No 4, pp 216-219.

  13. Kalpana, S., & Marimuthu.K.N .(2012) “ Priya.M“Synthesis of Zno Nano Rods by Dip Coating Method” Archives of Applied Science Research”, Vol. 4, No 5, pp 996-1001.

  14. Bharathy, G & Muthu.S, (2012) Solvation Analysis of derivatives of pyrazinamide by a Quantum mechanical method”, International jr. Of contemporary science, engg and technology, International jr. of contemporary science, Engg and technology, Vol. 3, No 1-2, pp 53-60,2012

  15. Sheela, N.R,., Muthu, S & Sampath Krishnan, S., (2012) Vibrational Spectroscopic studies and computational study of 5 – chloro- N- (4,5,-dihydro-1-H-imidazoal-2-yl)-2,1,3-benzothiadiazoal-4-amine) Deer Pharma chemical, Vol. 4, No 1, pp. 169-183.

  16. Muthu, S & Isac Paulraj, E., (2015) “ Molecular Structure spectra, first order hyper polarizability , NBO and HOMO –LUMO analysis of 4 –amino-3(4-Chloorophenyl) butanoic acis, Solid sate science Vol 14, 476-487.


YEAR 2011

  1. T.S .Dhiviyaa Pranavam, Bhasharan,A & T.Venkatea Rao, L.Punithavathi, and S.Karunanithi,(2011) “Ground water pollution in the palar riverbed near vellore, Tamilnadu”, Indian Journal of Science and Technology, Vol. 4, No. 1,pp. 19- 21

  2. Muthu, S., Ramachandran, G.Uma maheswari, & Gunasekaran.S (2011) .”Density functional theory and abinitio studies of vibrational spectra of Zonisamide” International Journal of current Research, Vol. 2, No. 2,pp. 50-58

  3. Raju, K & ,Rakkappan,C.,” Ultrasonic’s studies on the molecular interaction of Ethyl Cellulose in n- Alkanols”,(2011) , Asian Journal Of Chemistry, Vol. 23 ,No 1,pp. 19-22,

  4. Sampath Krishnan,S., Santhana Krishnan. V & Kumutha,R. (2011)” Molecular Structure Vibrational Spectroscopic Studies and analysis of diazopropyne”, Ultra Scientist of Physical Science,Vol.23, pp 169-175

  5. Sampath Krishnan.S., Santhana Krishnan, V. & Kumutha,R.(2011)” Ab Initio, Density functional theory and Structural studies of Pemoline”, Ultra Scientist of Physical Science,Vol.23, pp 475-481.

  6. Dhiviyaa Pranavam.T.S,Venkatesa Rao, Punithavathi,L.,& Bhaskaran. A.,(2011)” Ground water pollution in the palar riverbed near vellore, Tamilnadu”, Vol. 4, No. 1, pp 19-21 .

  7. Muthu.S Elamurugu Porchelvi.E & Yusuf Erdogada, (2011)” “Density Functional Theory and Ab initio studies of Vibrational Spectra of Nalidixic Acid”, Journal of International Academy of Physical Science , Vol 15,No 2, pp 205-222.

  8. Muthu, S.,Prasanth,M. & Arun Balaji, A., (2011)” Experimental and Theoretical Investigation of Spectroscopic properties of Clobazam”, Recent Research Science and Technology Vol3 (4) PP 127-135.

  9. Muthu, S. & Prabhakaran, (2011)” A., Vibrational Spectroscopic study and NBO Anaysis ON Tranexamic acid using DFT Method”, International Journal of Current Research”, Vol 3 , No 3 PP 78-83 .

  10. Muthu,S.,Uma Maheswari, J & Sampath Krishnan. (2011)” S Molecular Vibrational Spectroscopic Studies on 5 Chloro -7- Iodoguinolin 8-ol by Density functional theory and HF method”, Int.J.Ind Chem, Vol 2 ,No 4, PP 223-234.

  11. Muthu,S., & Isac Paulraj,E., (2011)” Molecular structure, vibrational spectroscopic(FT-IR, FT-RAMAN, NMR), first order hyper polarizability, of 5-amino-2 – hydroxybenzoic acid (5A2HBA) by ab initio HF and density functional method. , Journal of Chemical and Pharmaceutical Research, Vol.3 No. 5, 323-339.

  12. Muthu. S. ,N,R,Sheela, & S.Sampath Krishnan., (2011)”” Density Functional Theory and ab initio studies of Vibrational Spectra of 2-bis ( 2-Chlorooethyl aminoperhydro-1,3,2 -0xazaphosphorinane-2 oxide, J Mol Stimulation, Vol 37, No 15, PP 1276-1288,.

  13. Hariharauthan.R, Nageswararao.A & Bhaskaran.A., (2011) “Degradation studies of Reactive Dyes using Solar Irradiation , International Journal of Contemporary Science Engineering and Technology., Vol-2., no.1-2,, (2011) pp 27-35

  14. Punithavathi.L., karunanithi, Dhiviyaa Pranavam& Bhaskaran.A., (2011) “Physico-Chemical Studies of Groundwater Near Palar River at Arcot, International Journal of Contemporary Science Engineering and Technology., Vol-2., no.1-2,, (2011) pp 37-45


YEAR 2010

  1. Muthu,S., Bhaskaran, A & Sheela, N.R., & S., Sampath Krishnan,S (2010) .”FTIR spectroscopic analysis on air fried serum films of disease to kidney & healthy subjects”, Asian Journal Of Chemistry, Vol. 22 ,No 2,pp. 1118-1124

  2. Sheela, N.R., Muthu, S.,& Sampath Krishnan.S (2010)FTIR, FT Raman and UV- Visible Spectroscopic analysis of metformin hydrochloride’, Asian Journal Of Chemistry, Vol. 22 ,No 7,pp. 5049-5046

C O N F E R E N C E S

Sri Venkateswara college of Engineering

Department of Applied Physics

Conference presented/participated

Year-June2010-May2011

S.No

Name of the Faculty member

Conference presented

Place

Date

From

To

1

Dr.S.SampathKrishnan

1. Molecular structure, vibrational spectroscopic studies and analysis of 2 –thiouracil and its derivatives“International Conference on Frontiers in Applied Spectroscopy,

2 Molecular structure vibrational spectroscopic studies and Analysis of L –Prolyl L-Isoleucine Monohydrate, International conference on Recent Frontiers in Applied Spectroscopy

3 Growth and Characterization of new Non-linear optical Bis-Glycine Hydrogen Bromide single Crystal, International conference on Recent Frontiers in Applied Spectroscopy

Annamalai University

22.09.10

24.09.10

1. Computational Molecular Characterization of Thiourea and its derivatives, National Seminar on Current Trends in Chemistry –CTriC

Department of Chemistry, Cochin University of Science and Technology.

04-03-11

05-03-11

2

Dr.S.Muthu

1. Experimental and theoretical investigation of spectroscopic properties of Clonazepam, “International Conference on Frontiers in Applied Spectroscopy,”

2. Vibrational spectroscopic investigation using Abinitio and Density functional theory on Miglitol, “International Conference on Frontiers in Applied Spectroscopy,

3. Theoretical and experimental studies of Vibrational spectra of methyldopa, “International Conference on Frontiers in Applied Spectroscopy, ”

Annamalai University

22.09.10

24.09.10

4. Density functional theory,RHF simulations & thermal analysis on of Tizanidine, International conference on Academy of Physical Sciences”

5.. Solvation analysis of Derivatives of pyrazinamide By a Quantum mechanical method, International conference on Academy of Physical Sciences”

Rajasthan University, Jaipur

22.12.10

25.12.10

3

Dr.K.Raju

1 . Effect of n-alkyl amines on micellization of aqueous Sodium Dodecyl Sulphate solutions through Ultrasonic Measurements, Second International Conference on Materials in Future

2. Ultrasonic behaviour of divalent transition metal chlorides in n,n-dimethylformamide, Second International Conference on Materials in Future

Government Engineering College, Trichur, Kerala, India.

23-02-11

25-02-11

4

Dr.N.R.Sheela

1. Density Functional theory Restricted Hartree-Fock Simulations and Vibrational Spectroscopic studies of Isosorbide Mononitrate International Conference on Frontiers in Applied Spectroscopy,

2. Theoretical and Experimental Studies of Vibrational Spectra and Thermal Analysis of Tizanidine,” International Conference on Frontiers in Applied Spectroscopy”,

Annamalai University

22.09.10

24.09.10

3. Synthesis, Structure,Vibrational and Quantum Chemical investigation ofa- phenyl-N-(4-methylphenyl) nitrone,“National Conference on Recent Advances In Fundamental And Applied Sciences”

AVIT, Chennai

25-2-11

26-02-11

4. Synthesis,ab initio and Density Functional theory Studies on vibrational Spectra-2(2-Hydroxyphenyl)-N-(4-Methylphenyl) Nitrone,”National Seminar on Current trends in Chemistry”

Department of Chemistry, Cochin University of Science and Technology.

04-03-11

05-03-11

Year-June2011-May2012

S.No

Name of the Faculty member

Conference presented

Place

Date

From

To

1

Dr.A.Anandavadivel

1. Mechanism of heat setting in Nylon -6, National seminar on Advances in polymeric Materials”

2. Investigation on miscibility of thermoplastic polyurethane with styrene-co-acrylonitrile”, National seminar on Advances in polymeric Materials”

Department polymer science and Technology, Sri Krishnadevaraya University,Anantapur,Andhra Pradesh, India.

16.3.12

17.3.12

3.”Sensors: The Physics, Design and applications ” National conference on Materials for Energy and Environment

Department of Science & Humanities and science, Chendu college of engineering and Technology, Maduranthakam,Chengalput district,India

6.4.12

4. “Differential effects of magnetic field exposure from domestic power supply on locomotor and exploratory behaviour of an adult rat” International conference on Accelerator Radiation Safety

BARC, Mumbai, India

16.11.11

18.11.11

3

Dr.K.Raju

1. Molecular interactions on binary mixtures containing Butanol with non-polar solvents by using ultrasonic technique, International conference on Advanced Materials

2. Molecular interaction studies of donor – acceptor complexes by using Ultrasonic measurements, International conference on Advanced Materials

Department of Physics, Loyola College, Chennai-34

5-1.12

7-1-12

Year-June2012-May2013

S.No

Name of the Faculty member

Conference presented

Place

Date

From

To

1

Dr.A.Anandavadivel

1. The effect of cross linking on thermal properties of interpenetrating polymer network” National seminar on emerging trends in soft materials

Sri Krishnadevaraya University, Ananddapur, Andhra Pradesh, India.

01.11.12

02.11.12

2

Dr.K.Raju

2. A study on acoustical parameters for the characterization of artificially removed adult renal stones, International Conference on emerging trends in Physics

Department of Physics, St. Joseph’s college of Arts and Science, Cuddalore, Tamilnadu

21-2-13

22-02-13

3

Dr.N.R.Sheela

1. Molecular orbital studies (hardness,chemical potential, electrophilicity and first electron excitation),vibrational investigation and theoretical NBO analysis of 4-4’-(1,2,4-triazol-1-ylmethyl) Dibenzonitrile based on abinitio and DFT methods.“International conference on molecular spectroscopy of advanced materials and Biomolecules (IMSAB-2012

Kerala

7-8-12

9-8-12

Year-June2013-May2014

S.No

Name of the Faculty member

Conference presented

Place

Date

From

To

1

Dr.A.Anandavadivel

1. Optical parametric characterization of polyurethane blended poly(ethylene vinyl acetate) thin film.” National conference on soft materials.

Department of Physics, University of Jadavpur, Jadavpur, Kolkatta, India.

25.10.2013

27.10.2013

2

Dr.S.Muthu

1.Spectroscopic studies (ft-ir, ft-raman and uv), normal coordinate analysis and nbo analysis of salicylaldehyde p-chlorophenylthiosemicarbazone by dft methods, “International Conference on Perspectives in Vibrational Spectroscopy (ICOPVS 2013)

2.Scaled quantum chemical studies of the molecular structure and vibrational spectral studies of minoxidil “International Conference on Perspectives in Vibrational Spectroscopy (ICOPVS 2013)

Bishop Moore College, Mavelikara, Alappuzha, Kerala.

06.08.2013

09.08.2013

Year-June2014-May2015

S.No

Name of the Faculty member

Conference presented

Place

Date

From

To

1

Dr.S.Muthu

1.Spectroscopic and molecular structure investigation of 1,3-Dihydro-7-nitro-5-phenyl-2H-1,4- benzodiazepin-2-one by HF and DFT methods: A combined experimental and theoretical study ” 5th International conference on Perspectives in Vibrational spectroscopy(ICOPVS 2014), Mar Ivanios College, 08-12, July 2014, Hotel Mascot, Trivandrum”, Kerala

2.Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability and NBO analysis of 2-ethylpyridine-4-carbothioamide,” ” 5th International conference on Perspectives in Vibrational spectroscopy(ICOPVS 2014), Mar Ivanios College, 08-12, July 2014, Hotel Mascot, Trivandrum”, Kerala

3.Molecular docking, Vibrational investigation and Theoretical NBO, NLMO analysis of 4-vinyl-1-cyclohexene-1,4-dicarboxylic acid by Density functional method, ” 5th International conference on Perspectives in Vibrational spectroscopy(ICOPVS 2014), Mar Ivanios College, 08-12, July 2014, Hotel Mascot, Trivandrum”, Kerala

4. Spectroscopic and molecular structure investigation of Trioxsalen by DFT method: A combined experimental and theoretical study,” 5th International conference on Perspectives in Vibrational spectroscopy(ICOPVS 2014), Mar Ivanios College, 08-12, July 2014, Hotel Mascot, Trivandrum”, Kerala

5.Scaled quantum chemical studies of the molecular structure and vibrational spectra of 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate,” 5th International conference on Perspectives in Vibrational spectroscopy(ICOPVS 2014), Mar Ivanios College, 08-12, July 2014, Hotel Mascot, Trivandrum”, Kerala

6., Molecular docking, spectroscopic studies and quantum calculations on nootropic drug,’ ,” 5th International conference on Perspectives in Vibrational spectroscopy(ICOPVS 2014), Mar Ivanios College, 08-12, July 2014, Hotel Mascot, Trivandrum”, Kerala

7. Molecular, Structure, Spectroscopic properties of ethyl-4-aminobenzoate by experimental method and quantum chemical calculation”, ,” 5th International conference on Perspectives in Vibrational spectroscopy(ICOPVS 2014), Mar Ivanios College, 08-12, July 2014, Hotel Mascot, Trivandrum”, Kerala

8. Vibrational Spectroscopies, studies, normal co-ordinate analysis, first order hyperpolarizability, HOMO-LUMO of midodrine by using Density Functional method”, ” 5th International conference on Perspectives in Vibrational spectroscopy(ICOPVS 2014), Mar Ivanios College, 08-12, July 2014, Hotel Mascot, Trivandrum”, Kerala

9. Vibrational spectra, Molecular structure, Natural bond oribital, first order hyperpolarizability, thermodynamic analysis and normal coordinate analysis of Salicylaldehyde p- methyl phenlthiosemicarbazon by Density functional theory”, ” 5th International conference on Perspectives in Vibrational spectroscopy(ICOPVS 2014), Mar Ivanios College, 08-12, July 2014, Hotel Mascot, Trivandrum”, Kerala

10. Study of Vibrational spectra, Normal coordinate analysis and molecular structure of 6-(2,3-dichlorophenyl)-1,2,4-triazine-3-5,-diame using density functional theory” 5th International conference on Perspectives in Vibrational spectroscopy(ICOPVS 2014), Mar Ivanios College, 08-12, July 2014, Hotel Mascot, Trivandrum”, Kerala

11. Spectroscopy and Molecular structure investigation of 1,3- Dihydro-7 nitro -5-phenyl-2H-1,4-benzodiapin -2-one by HF and DFT methods. A Companied experimental and theoretical study, ,” 5th International conference on Perspectives in Vibrational spectroscopy(ICOPVS 2014), Mar Ivanios College, 08-12, July 2014, Hotel Mascot, Trivandrum”, Kerala

12 Vibrational spectra, first order hyperpolarizabilty, NBO and HOMO-LUMO analysis of N-(4-Nitro-2-Phenoxyphenyl) Methanesulfonamide” ,” 5th International conference on Perspectives in Vibrational spectroscopy(ICOPVS 2014),

Mar Ivanios College, 08-12, July 2014, Hotel Mascot, Trivandrum”, Kerala

8.7.2014

12.7.2014

2

Dr.N.R.Sheela

1. Molecular orbital studies (hardness, Chemical potential and electrphilicity), Vibrational investigation and theoretical NBO analysis of Tizanidine based on ab inittio and DFT methods”5th International conference on perspectives in vibrational Spectroscopy

Mar Ivanios College, 08-12, July 2014, Hotel Mascot, Trivandrum”, Kerala

8.7.2014

12.7.2014

List of candidates Completed Ph.D at SVCE

S.No

Name

Supervisor

University

Title

Date of submission

1.

Elamurugu Porchelvi

Dr.S.Muthu

Anna University

Density functional theory and Spectroscopic investigation on Biologically important organic compounds

Feb 2015

2.

R.Kumutha

Dr.S.Sampath Krishnan

Anna University

Density functional theory studies on the structure and vibrational spectra of some polyatomic molecules.

Jan 2015

3.

V.Santhana Krishnan

Dr.S.Sampath Krishnan

Bharathiar University

Vibrational spectra , assignment and quantum chemical studies of some organic compounds

July 2015

List of candidates completed Ph.D

S.No

Name

Supervisor

University

Title

Date of viva completion/ Degree awarded

1.

N.R.Sheela

Dr.S.Sampath Krishnan

Bharathiar University

Spectroscopic investigation and quantum mechanical computation of some important organic compounds

7/02/2014

2.

M.Prasth

Dr.S.Muthu

Manonmaniam

Sundaranar Univ

Molecular conformational analysis on some benzodiazepine derivatives

12/2/2014

3

Dr.Isac Paulraj

Dr.S.Muthu

Manonmaniam

Sundaranar Univ

Spectroscopic investigation and molecular modeling studies on some pharmaceutical materials

17/3/2014

4

Dr.J.Uma mAheswari

Dr.S.Muthu

SCSVMV University,Kanchipuram

Density functional theory solutions and vibrational spectral investigation of Certain pharmaceutically important molecules

29/9/2014

5

Dr.A.Prabhakaran

Dr.S.Muthu

Bharathiar University

Quantum mechanical computation and experimental spectroscopic (FTIR,FT Raman, UV-Visible) investigations on some Pharmaceutical Organic Materials

09/12/14

6

Dr.G.Ramahandran

Dr.S.Muthu

Bharathiar University

Vibrational spectroscopic investigation and computational study on some pharmaceutical compounds

09/12/14

7

Dr.T.Rajamani

Dr.S.Muthu

Bharathiar University

Vibrational Spectroscopic and molecular modeling investigations on some Pharmaceutical organic and biologically important compound

16/12/14

List of candidates submitted Ph.D Thesis

S.No

Name

Supervisor

University

Title

Date of submission

1.

S.Renuka

Dr.S.Muthu

Anna University

Molecular Modeling and Spectroscopic on Biologically Important Compounds

Dec 2014

2.

R.Kumutha

Dr.S.Sampath Krishnan

Anna University

Density functional theory studies on the structure and vibrational spectra of some polyatomic molecules.

Jan 2015

3.

V.Santhana Krishnan

Dr.S.Sampath Krishnan

Bharathiar University

Vibrational spectra , assignment and quantum chemical studies of some organic compouds

July 2015

FDP

Sri Venkateswara college of Engineering

Department of Applied Physics

FDP, attended/Organised

Year-June2012-May2013


S.No

Name of the Faculty member

FDP/Seminar/Workshop details

Place

Date

From

To


1

Dr.S.SampathKrishnan

Dr.K.Raju

Dr.N.R.Sheela

Ms.G.Bharathy

Ms.S.Kalpana

AICTE Faculty Development Programme on Contemporary Research and Practices in Pollutant Elimination Systems towards Cleaner Environment

SVCE

20.05.2013

26.05.2013


BOOK PUBLISHED

D.K. Bhattacharaya & A.Bhaskaran., Engineering Physics, Oxford Higher Education, New Delhi, 2010