Department of Applied Physics

 

S. No.

Name of the Faculty (all coauthors)

Title of the paper

Name of the Journal

Vol. No, pages and IF

1.     

Ramesh Babu A

Dr. A. Bhaskaran

Sudharashanam M

Prabhu A

Performance, combustion and emission characteristics of a single-cylinder constant speed compression ignition engine using soybean methyl esters

International Journal of Ambient Energy

https://doi.org/10.1080/01430750.2018.1472659

2.     

Kurubaran A, Varun Krishna S, Vignesh K, Bhaskaran A.

Air Pollution Monitoring System using Android Application

International Journal of Current Research and Review, Vol 10, No.21, Nov 2018, pp 112-115

3.     

Sharan P, A. Bhaskaran, Kalpana S, Ramesh Babu A.

 

Effect of Dimethyl Carbonate on Performance and Emission Characteristics of a Diesel Engine

International Journal of Current Research and Review, Vol 10, No.21,  pp.116-121, Nov.2018.

4.     

Dr. A. Bhaskaran

R. Hariharasuthan

Adsorption Studies on Reactive Black 5 by Varying the Composition of Sorel Cement

International Journal of Current Research and Review, Vol 10, No.21, pp.122-125, Nov.2018

5.     

Ruba Rani P Gangadharan Dr. S.Sampathkrishnan

Quantum Chemical Calculation on 4-[2(tert-Butylamino)-(1 hydroxyethyl) ] Phenol buy Density functional Theory

Spectroscopy and Spectral analysis, Vol 38, pp.3681-3637, Nov. 2018

6.     

Saranya CDr. S.Sampathkrishnan

Balamurugan N

Natural Bond orbital, Natural population analysis of atomic charges of 4 amino- 3 phenylbutanoic acid 

Spectroscopy and Spectral analysis,Vol 39,pp. 3 March. 2019

7.     

C. Charanya,

S. Sampathkrisshnan,

A. Bhaskaran, N. Balamurugan

Molecular Docking, Quantum Chemical Analyses of Molecular Structure

and Spectroscopic Investigations of N-[1-(1-Benzothien-2-yl)ethyl]-N-

hydroxyurea: A Combined Experimental and Theoretical Studies

International Journal of Current Research and Review, Vol 10, No.21, pp.106-111, Nov.2018.

8.     

Kumari MVL,

Kaviarasi A,

Dr. A. Anandavadivel

Prabhakaran AR

Characteristics studies on thin films of epoxy resin in Organic solvent

International Journal of Chemical Sciences, Vol.16, No.4, pp.1-7, Dec 2018.

9.     

Kumari MVL,

Kaviarasi A,

Dr. A. Anandavadivel

Prabhakaran AR

Thermal Mechanical and Dielectric studies on thin films of Ethylene vinyl acetate copolymer with varying concentration of Vinyal acetate

International Journal of Chemical Sciences, Vol.16, No.4, pp.1-6, Dec 2018.

10.  

Dr. K. Raju

 

Investigation on Novel Nonlinear Optical L-threonine Calcium Chloride Single Crystal Grown by Solution Growth Technique

International Journal of Applied Engineering Research ISSN 0973-4562 Vol. 13, No.18,

pp. 13454-13459, 2018.

11.  

Raajaraman B R

Sheela N R.,

Muthu S.

Investigation of 1-Acetyl-4-(4-hydroxyphenyl) piperazine an antifungal drug by spectroscopic quantum chemical computations and molecular docking studies

Journal of Molecular Structure, Vol.1173, pp.583-595, 2018.

12.  

Ms. G. Bharathy, Johanan Christian Prasana, S. Muthu

Molecular Conformational Analysis, Vibrational Spectra, NBO,HOMO–LUMO and Molecular docking of Modafinil Based on DensityFunctional Theory

International Journal of Current Research and Review, Vol 10, No.21,

pp.36-45, Nov.2018.

13. 

Ms. S. Kalpana

Dr.S.Sampath Krishnan T.Senthil

 

Effect of chromium doping on structural, optical and photocatalytic properties of ZnO nanoparticles

Opto Electronics and Advanced Materials-Rapid Communications,Vol.12, No.5-6, pp.353 – 359, 2018.

14. 

Charanya, S Sampath Krishnan and N Balamurugan

Natural Bond                             Orbital(NBO),Natural population Analysis (NPA) and Non linear Optical Properties of (1S,2R)-2-amino-1-phenyl propan-1-ol-using DFT Method

Spectroscopy and Spectral Analysis,Vol.37,No.9, pp.1-5,2017.

15. 

K.Raju and K.Karpagavalli

 

Effect of heavy metal pollution on groundnut (Arachis hypogaea L.) cultivar – A Spectroscopic study

Adv. in Natural and Appl. Sciences, Vol.11,No.4, pp.120-122,2017.

Impact Factor : 0.4

16. 

Ms.G.Bharathy

Quantum Computational and Molecular docking studies of 2-{2- [(2,6-dichlorophenyl)amino]phenyl}acetic acid based on density functional theory

Asian Journal of Research in Social Sciences and Humanities,Vol.7, No.6, pp.395-427, 2017.

17. 

Kalpana S

Cobalt doped Zinc Oxide nanoparticles for Photocatalytic applications

J.of  Ovianic Research.vol.1,No13,2017

Impact Factor : 0.55

18.  

Balamurugan N

Sampath Krishnan  S and Charanya C

Natural Population Analysis, Muliken analysis of Atomic Charges of 2-((2,3- Dimethylphenyl) Amino} Benzoic Acid” Spectroscopy and Specreal analysis

Spectroscopy and Spectral analysis

Vol. 36, No 4 PP 1273-1276, 2016.

Impact factor : 0.275

19.  

Charanya C,

Sampath Krishan S and Balamurugan N

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, 2016.       Impact factor:0.275

20.  

Kumutha R,

Sampath KrishnanS, Rubarani.P.Gangadharan and Thirumalai Kumar M

Structural and spectral studies on benzoyl Thiourea based on DFT calculations

Journal of Advances in Chemistry,Vol.12, pp.4826-4844, 2016.Impact factor : 1.778

21.  

Kumutha R and SampathKrishnan S

Vibrational Spectra, Nbo, Homo-Lumo Analyses Of Furfural Semicarbazone

Journal of Advances in Chemistry, Vol.12, pp. 4845 -4859,2016.

Impact factor : 1.778

 

22.  

Rubarani.P.Gangadharan and Sampath Krishnan. S

”Corrosion inhibition studies and Solvation Analysis of Pyridine N-oxides by Polarizable Continuum

Journal of Advances in Chemistry, Vol 13, pp.6196-6201,2016.

Impact factor : 1.778

23.  

Charanya  C,

Sampath Krishnan.S  S and Balamurugan N

Quantum mechanical analysis, spectroscopic (FT-IR, FT-Raman, UV-Visible) study, and HOMO-LUMO analysis of (1S,2R)-2-amino-1-phenylpropan-1-ol using Density Functional Theory

Journal of Molecular Liquids,Vol.231

pp.116–125, 2017.

Impact factor : 2.740

24.  

Sampath Krishnan  S and Kalpana Rajan

effect of Gadolinium on the properties and photo – catalytic application of ZnO nano Crystals

Journal of Advances in Chemistry Vol.12,pp.4290-4294, 2016.Impact factor : 1.778

25.  

P. Krishnamurthy , Ramalingam H.S, Raju. K

Refractive index studies on heptanol with dimethylktone, ethyl methyl ketone, methyl methacrylate system at 301 K

Archives of Applied Science Research 2015, 7(11) 5-9

26.  

P.Maragathavel, .K.Raju and P.Krishnamurthi

Theoretical prediction of ultrasonic velocity of binary liquid mixtures

RasyanJ.Chem

Vol 8 No 2 227-231,

 2015

27.  

P. Krishnamurthy, Ramalingam H.S, Raju. K

FTIR studies of hydrogen bonding interaction between the hydroxyl and carbonyl liquids

Pelagia Research Library

Vol 6(12) 44-52 2015

28.  

N.Balamurugan, C.Charanya S.Sampath Krishnan

Vibrational Spectroscopic Studies of L-Alaninium Ox

alate

Optics & Spectroscopy

Vol 119, pp 432-440, 2015

 

29.  

N.SwarnaSowmya, S,Sampath Krishnan, S.Sudhahar, M.Krishnankumar, R.Mohankumar

Synthesis, growth, structural, optical, thermal, dielectric and mechanical studies of piperidinium p-nitrophenolate signal crystal

Optik,

Vol 127, 3024-3029, 2016

30.  

N.SwarnaSowmya, S,SampathKrishnan Y.Vidyalakshmi, S.Sudhahar, R.Mohankumar

Synthesis, growth, structural thermal and optical studies of pyrrolidinium -2- carboxylate -4- nitrophenol single crystal

SpectrochimicaActa Part A Molecular and Biomolecular Spectroscopy Vol 145 PP 333-339, 2015

31.  

N.SwarnaSowmya, S,Sampath Krishnan

Synthesis, Growth and Spectroscopic studies of PiperaziniumParanitrophenolate Monohydrate Crystal

Spectroscopy & Spectral analysis

Vol 35, No 10, PP 2958-2962

 

32.  

N.balamurugan, S.Sampath Krishnan, C.Charanya

Vibrational Spectroscopic study of N-(4-(1-Hydroxy 2-((1-Methyl ethyl) Amino) Ethyl) Phenyl) Methane Sulfonamide

Spectroscopy & Spectral analysis

Vol 356No 3 PP 880-886

33.  

N. SwarnaSowmya, S. Sampathkrishnan,R. Akilan, G. Chakkaravarthi and R. Mohan Kumard

Crystal structure of 2- Phenyl- ethanminium 3- Carboxprop- 2-enoate

ActaCryst. E 71 o61-o642, 2015

34.  

Rubarani P. Gangadharana, S. SampathKrishnan and M. Thirumalai Kumar

Molecular Structure , non linear optical, second order perturbation studies and thermodynamic properties of 2-(1-Phenylethylidene) hydrazine carbaxamideny density functional theory

Journal of Chemical &Pharmareceutical Research

Vol 7(7) 875-893, 2015

35.  

N.Balamurugan

C.Charanya

S.SAMPATH KRISHNAN

S.Muthu

Molecular structure, Vibrational spectra, first order hyper polariziability, NBO and HOMO-LUMO analysis of 2-amino-5-boromo-benzoic acid methyl ester

SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy

Elsevier Volume 137, 2015, Pages 1374-1386

 

36.  

R.Kumutha,

S.SAMPATH KRISHNAN

M.Thirumalaikumar

Computational studies on 2-hydroxyphenyl N-phenyl nitron, spectroscopy investigation

Oriental Journal of chemistry

Volume 30 No-4, 2014, Pages 1905-1912

 

37.  

N.Swarmna Sowmya

S.SAMPATH KRISHNAN

S.Sudhakar,

G.Chakkaravarthi

Crystal structure of piperidinium 4- nitrophenolate

Acta Cryst. E Volume E 70 2014, Pages 559-561

 

38.  

N.Swarmna Sowmya

S.SAMPATH KRISHNAN

S.Sudhakar,R.Mohan Kumar

G.Chakkaravarthi

Crystal structure of phenylethylaminium  4- nitrophenolate monohydrate

Acta Cryst. E Volume E 70 2014, Pages o 1280

 

39.  

Rubarani. P.Gangadharan

S.SAMPATH KRISHNAN

Solvation analysis of Derivatives of Nitrones by Quantum Mechanical Method

International journal of innovative research in Science & Technology Page 2347-3207,2014

40.  

Balamurugan>N

C.Charanaya

S.SAMPATH KRISHAN

Molecular Sturcture, Vibrational spectra, Theoretical NBO  and HOMO-LUMO analysis of BI-Glycine Hydrobromide by DFT Method

Asian Journal of Chemistry Vol 26. No 14. 2014, Page 4259-4265

41.  

Rubarani. P.Gangadharan

S.SAMPATH KRISHNAN

Experimental and computational study on molecular structure and vibrational analysis of Hydroxybenzopyridine using DFT method.

Asian Journal of Chemistry Vol 26. No 15. 2014, Page 4571-4581

42.  

 S. MUTHU,

 S. Renuga

Vibrational spectra and normal coordinate analysis of 2-hydroxy-3-(2-methoxyphenoxy) propyl carbamate

SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy

Elsevier Volume 132, 11 2014, Pages 313-325

 

43.  

S, MUTHU, Arunachalamprabakaran

Scaled Quantum Chemical Studies of the Molecular

Structure and Vibrational Spectra of Minoxidil

Spectroscopy Letters.

Taylor & Francis Group Vol.48: 63–73, 2015

44.  

J. Uma Maheswari,

 S. MUTHU, Tom Sundius

QM/MM methodology, docking and spectroscopic (FT-IR/FT-Raman, NMR, UV) and Fukui function analysis on adrenergic agonist

SpectrochimicaActa Part A: Elsevier Volume 137, 25 2015, Pages 841-855

 

45.  

S. MUTHU, G

Ramachandran,

E. IsacPaulraj,

T. Swaminathan

Quantum mechanical study of the structure and spectroscopic (FTIR, FT-Raman), first-order hyperpolarizability and NBO analysis of 1,2-benzoxazol-3-ylmenthane sulfonamide

SpectrochimicaActa Part A: Elsevier Volume 128, 15 2014, Pages 603-613

 

46.  

K. Bhavani, S. Renuga,

 S. MUTHU,

 K. Sankaranarayanan

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

SpectrochimicaActa Part A: Elsevier Volume 136, Part C, 5 2015, Pages 1260-1268

 

47.  

  R. Shahidha,

S. MUTHU,

E. ElamuruguPorchelvi,

M. Govindarajan

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

 

SpectrochimicaActa Part A: Elsevier Volume 132, 11 2014, Pages 142-151

 

48.  

E. ElamuruguPorchelvi,

S. MUTHU

Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, thermodynamic analysis and normal coordinate analysis of Salicylaldehydep-methylphenylthiosemicarbazone by density functional method

SpectrochimicaActa Part A: Elsevier Volume 134, 5 2015, Pages 453-464

 

49.  

S. Sakthivel, T. Alagesan, Abdulaziz A. Al-Saadi, S. Renuga, S. MUTHU

Vibrational spectra of 3,5-diamino-6-chloro-N-(diaminomethylene) pyrazine-2-carboxamide: Combined experimental and theoretical studies

SpectrochimicaActa Part A: Elsevier Volume 127, 5 2014, Pages 157-167

50.  

R. Shahidha, Abdulaziz A. Al-Saadi,S. MUTHU

Vibrational spectroscopic studies, normal co-ordinate analysis, first order hyperpolarizability, HOMO–LUMO of midodrine by using density functional methods

SpectrochimicaActa Part A: Elsevier Volume 134, 5 2015, Pages 127-142

 

51.  

S. MUTHU,

 E. ElamuruguPorchelvi, M. Karabacak, A.M. Asiri, Sushmita S. Swathi

Synthesis, structure, spectroscopic studies (FT-IR, FT-Raman and UV), normal coordinate, NBO and NLO analysis of salicylaldehydep-chlorophenylthiosemicarbazone

Journal of Molecular Structure, Elsevier Volume 1081, 5 2015, Pages 400-412

52.  

N. Swarnalatha, S. Gunasekaran, S. MUTHU,

 M. Nagarajan

 

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

SpectrochimicaActa Part A: Elsevier Volume 137, 25 2015, Pages 721-729

 

53.  

S. MUTHU,

 A.Prabhakaran

 

Vibrational spectroscopic study and NBO analysis on tranexamic acid usingDFT method

SpectrochimicaActa Part A: Elsevier Volume 129, 14 2014, Pages 184-192

 

54.  

S. Renuga, M. Karthikesan,

S. MUTHU

 

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

 

SpectrochimicaActa Part A: Elsevier Volume 127, 5 2014, Pages 439-453

 

55.  

S. MUTHU,

E. Elamuruguporchelvi, Anitha Varghese

 

DFT electronic structure calculations, spectroscopic studies, and normal coordinate analysis of 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate

SpectrochimicaActa Part A: Elsevier Volume 138, 5 2015, Pages 743-752

 

56.  

NoureddineIssaoui , HoucineGhalla , S. MUTHU , H.T. Flakus, BrahimOujia

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

SpectrochimicaActa Part A: Elsevier Vol.136 (2015) pages 1227–1242

 

 

 

57.  

Swarnalatha.N, Gunasekaran,

 S.MUTHU,

 P.Rajesh

Experimental and theoretical investigation of spectroscopy

Indian Journal ofScience Vol. 14(41) 2015Page 43-62

58.  

K.RAJU

C.Rakkappan

K.Karpagavalli

Effect of n- alkyl amines on Micellization of Aqueous  Sodium Dodecyl sulphate solution through Ultrasonic measurement

Chemical Science Transaction Vol 3(2) 2014,

59.  

S.Meena

K.RAJU

A.N.Kannappan

Ultrasonic studies of ternery mixtures of N -Alkanols in Ethylmethacrylate and Benzen at various temperature.

Chemical Science Transaction Vol 3(4) 2014,

60.  

K.RAJU

K.Karpagavalli

P.Krisnamurthi

S.Meena

Ultrasonic studies on molecular interactions in the binary mixtures of n- butanol with acetone and ethyl methyl ketone

Scholar Research Library Vol. 3(3) 2014, Pages  5-8

61.  

N.R. SHEELA,

S. Muthu, S. S.Sampathkrishnan, Abdulaziz A. Al-Saadi

 

Normal co-ordinate analysis, molecular structural, non-linear optical, second order perturbation studies of Tizanidine by density functional theory

SpectrochimicaActa Part A: Elsevier Volume 139, 15 2015, Pages 189-199

 

62.  

Dr. A. Bhaskaran

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, page 69-78, (2013)

63.  

Dr. A. Bhaskaran

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, page 79-88,(2013)

64.  

N.R. Sheela S. Muthu , S. Sampathkrishnan

Molecular orbital studies (hardness, chemical potential and electrophilicity), vibrational investigation and theoretical NBO analysisof 4-40-(1H-1,2,4-triazol-1-yl methylene) dibenzonitrile based onabinitio and DFT methods

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 120 (2014) 237–251,2014

65.  

S.Renuga,S.Muthu

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: Molecular and Biomolecular Spectroscopy 118 (2014) 702–715,

66.  

S.Muthu, G.Ramachandran

Spectroscopic studies (FTIR, FT-Raman and UV–Visible), normalcoordinate analysis, NBO analysis, first order hyper polarizability, HOMOand 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: Molecular and Biomolecular Spectroscopy 121 (2014) 394–403

67.  

S. Muthu , T. Rajamani , M. Karabacak , A.M. Asiri

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: Molecular and Biomolecular Spectroscopy 122 (2014) 1–14

68.  

A. Prabakaran,

 S. Muthu

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: Molecular and Biomolecular Spectroscopy 118 (2014) 578–588

69.  

T. Rajamani

S. Muthu

Vibrational spectra, first order hyperpolarizability, NBO, Fukui functionand HOMO–LUMO analysis of 2-[4-(1,3-benzodioxol-5-ylmethyl) -1-piperazinyl] pyrimidine

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 115 (2013) 654–666

70.  

T. Rajamani ,

S. Muthu ,

 M. Karabacak

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: Molecular and Biomolecular Spectroscopy 108 (2013) 186–196

71.  

M. Prasath

, S. Muthu

R. Arun Balaji

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: Molecular and Biomolecular Spectroscopy 113 (2013) 224–235

72.  

S. Muthu

M. Prasath, E. Isac Paulraj ,R. Arun Balaji

FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 7-chloro-5-(2-chlorophenyl)-3-hydroxy-2,3-dihydro-1H-1,4-benzodiazepin-2-one

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 120 (2014) 185–194

73.  

S. Muthu

S. Renuga

Molecular orbital studies (hardness, chemical potential, electronegativity and electrophilicity), vibrational spectroscopic investigation and normal coordinate analysis of 5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 118 (2014) 683–694

74.  

S. Muthu

A. Prabakaran

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: Molecular and Biomolecular spectroscopy 121 (2014) 420–429

75.  

S.Muthu, S.Renuga

Vibrational and spectroscopic investigation on the structure of 5H-dibenzo[b,f]azipine-5-carboxamide

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 114 (2013) 1–10

76.  

V. Santhana Krishnan ,

 S. SampathKrishnan  S. Muthu

, S. Renuga

Experimental and computational study on molecular structure and vibrational analysis of 4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol by normal coordinate treatment

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 115 (2013) 191–201

77.  

S. Muthu , M. Prasath

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: Molecular and Biomolecular Spectroscopy 115 (2013) 789–799

78.  

E. Elamurugu Porchelvi , S. Muthu

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-dioxide by ab initio HF and Density Functional method

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 123 (2014) 230–240

79.  

S. Muthu , J. Uma Maheswari , 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: Molecular and Biomolecular Spectroscopy 106 (2013) 299–309

80.  

K.RAJU

 

A study on acoustical parameters for the characterization of artificially removed adult renal stones

Archives of Physics Research 2013, 4 (2):71-73

81.  

S.Muthu,A.Prabhakaran

Scaled Quantum Chemical Studies of the MolecularStructure and Vibrational Spectra of Minoxidil

Spectroscopy Letters, 48: 63–73( 2014)

82.  

N.R. Sheela,

S. Muthu, S. Sampathkrishnan

 

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: Molecular and Biomolecular Spectroscopy 120 (2014) 237–251

83.  

Dr. S.Sampath Krishnan & Rubarani .P.Gangasharan

Natural bond  orbital (NBO) and population analysis 0f 1 Azanapthalene-8-0l

Acta  Physica Polonica  a Vol 125, (2014) 18-25

84.  

Dr..S.Sampath Krishnan & N.Sowmaya

Pyrrolinium-2-Carboxylate-4-nitrophenol

Acta. Cryst.E 69 (2013) o1723

85.  

 Dr.S.Sampath Krishnan & S.Kumutha

Experimental and Theoretical investigation of spectroscopic properties of N-acetyl thiourea

Computational . chem. 63(2013) 18536-18554

86.  

Ms.G.Bharathy & S.Muthu

Solvation Analysis of derivatives of pyrazinamide by a Quantum mechanical method

International jr. Of contemporary science, engg and technology, vol. 3, no. 1-2, page 53-60 (2013)

87.  

Dr.S.Muthu

Vibrational spectroscopic investigation on the structure of 2-ethylpyridine-4-carbothioamide

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy-Elsevier Volume 93,  Pages 214-222(2012)

 

88.  

Dr.S.Muthu

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: Molecular and Biomolecular Spectroscopy-Elsevier Volume 99,  Pages 90-96(2012)

 

89.  

Dr.S.Muthu

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- Elsevier16 , pp. 90-101(2013)

 

90.  

Dr.S.Muthu

Molecular structural, non-linear optical, second order perturbation and Fukui studies of Indole-3-Aldehyde using density functional calculations

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy-Elsevier106 , pp. 299-309(2013)

91.  

Dr.S.Muthu

Spectroscopic and molecular structure (monomeric and dimeric structure) investigation of 2-[(2-hydroxyphenyl) carbonyloxy] benzoic acid by DFT method: A combined experimental and theoretical study

Journal of Molecular Structure-Elsevier1038 , pp. 145-162 (2013)

 

92.  

Dr.S.Muthu

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: Molecular and Biomolecular Spectroscopy-Elsevier Volume 108, Pages 38-49(2013

93.  

Dr.S.Muthu

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: Molecular and Biomolecular Spectroscopy-Elsevier Volume 107,  Pages 386-398(2013)

94.  

Dr.S.Muthu

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- Elsevier Volume 16,  Pages 45-52(2013)

 

95.  

Dr.S.Muthu

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: Molecular and Biomolecular Spectroscopy-Elsevier Volume 108, Pages 186-196(2013)

96.  

Dr.S.Muthu

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: Molecular and Biomolecular Spectroscopy-Elsevier Volume 106, Pages 129-145(2013)

97.  

Dr.S.Muthu

Thermochemical investigations and vibrational spectroscopic studies of1, 4benzodiazepines using ab initio and DFT methods

Annals of Faculty Engineering -Hunedoara Tome X (Year 2012)- Fascicule 3 pp 399 -406

98.  

Dr.S.Muthu

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: Molecular and Biomolecular Spectroscopy-Elsevier Vol 106 (2013)

pp 310–320

 

99.  

Dr.S.Muthu

Solvation analysis of halogenated 4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8- carboxamide

Asian Journal of Chemistry25 (1) , pp. 161-164 (2013)

100.               

Dr.S.Muthu

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: Molecular and Biomolecular Spectroscopy-Elsevier

96 (2012)     pp 657–667

101.               

Dr.S.Muthu

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: Molecular and Biomolecular Spectroscopy-Elsevier108 (2013) 159–170

102.               

Dr.S.Muthu

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 (2013)         pp 101-111

103.               

Dr.S.Muthu

An experimental and theoretical study of the vibrational spectra and structure of isosorbide dinitrate

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy-Elsevier

104.               

Dr.S.Muthu

Quantum mechanical, spectroscopic studies and normal coordinates analysis on 3N Sulfamoyl propanimidamide

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy-Elsevier2013 Vol 108 pp 307- 318

105.               

Dr.S.Sampathkrishnan,

Lattice heat capacity of crystal : A q-oscillator Debye model

Advances in Applied Science Research3(5),pp2636-2642(2012)

106.               

Dr.S.Sampathkrishnan,

Growth and Characterization of new non linear optical Bis-Glycine Hydro Bromine(BGHB) single crystal                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           

Journal of Mineral and Material Characterization and engineering Vol.11,No.6.pp597-607(2012)

107.               

Dr.S.Sampathkrishnan,

Computational molecular characterization of thio urea and its derivatives

Asian journal of Chemistry Vol.24.No.11,pp.4878-4882(2012)

108.               

Dr.S.Sampathkrishnan

Solubility studies of haloglycine by quantum mechanical methods

Asian journal of Chemistry Vol.25,No.4,PP2007-2011 (2013)

109.               

Dr.A.Bhaskaran

 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, Issue.1,

PP 287-292, (2013)

110.               

Dr.K.Raju

Ultrosonic studies of molecular interactions in the solutions of poly( propylene glycol) 400 in N-alkanols

European journal of Applied engineering and Scientific Research1(4)

pp 216-219(2012)

111.               

Ms.N.R.Sheela

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: Molecular and Biomolecular Spectroscopy-Elsevier Vol 109 (2013) pp 272 -281

112.               

S.Kalpana  Rajan, S.Sampath Krishnan

Synthesis of Zno Nano Rods by Dip Coating Method

Archives of Applied Science Research

113.               

Mr. R. Hariharasuthan, Mr. A. Nageswararao and Mr. A. Baskaran

Degradation studies of reactive dyes using solar radiation Professor

IJSCET

SVCE Journal

114.               

Ms. L. Punithavathi, Mr. S. Karunanithi, Ms. T. S. Dhiviyaa Pranavam and Mr. A. Bhaskaran

Physio-chemical studies of ground water near palar river at Arcot, India

 

International Journal of contemporary science Engineering and technology

115.               

S.Sampath Krishnan, V,Santhan Krishnan, and R.Kumutha

Molecular Structure Vibrational Spectroscopic Studies and analysis of diazopropyne

Ultra Scientist of Physical Science Vol 23 PP 169-175, 2011

116.               

S.Sampath Krishnan, V.Santhana Krishnan and R.Kumutha

Ab Initio, Density functional theory and Structural studies of Pemoline

Ultra Scientist of Physical Science Vol 23 PP 475-481, 2011

117.               

S.Sampath Krishnan, V.Santhana Krishnan, N.Swarna Sowmya, R.Kumutha

 

Vibrational Spectra and ab initio studies of L-Prolyl L-Isoleucine

 

V Asian Journal of Chemistry ol 24 No 3 PP 000 (2012)

118.               

S.Sampath Krishnan, R.Kumutha, N.Balamurugan and V.Santhana Krishnan

Computational molecular characterization of Thiourea and its derivatives

Asian Journal of Chemistry Vol 24 No 3 PP 000 (2012)

119.               

R.Hariharasuthan, A.Nageswaraon and A.Bhaskaran

Adsorption studies on Direct  Yellow 17 by  Varying the Concentraaation of MgO in Sorel,s Cement Professor

International journal of science and technology Vol. 1, No. 6, Dec 2011

120.               

S.Muthu, E.Flamurugu Porchelvi and Yusuf Erdogada

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, (2011)

121.               

S.Muthu, N,R,Sheela, & S.Sampath Krishnan

 

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, (2011)

122.               

S.Muthu, E.Isac Paulraj

Molecular Structure Vibrational Spectra , first order hyper polarizability NBO and Homo-LUMO  analysis of 4 amino- 3(4-Chlorophenyl) butanoic acid

Solid State Sciences Vol 14, 476-487, (2012)

123.               

S.Muthu, M.Prasanth, A.Arun Balaji

 

Experimental and Theoretical Investigation of Spectroscopic properties of Clobazam

 

Recent Research Science and Technology  Vol3 (4) PP 129-135, (2011)

124.               

S.Muthu and A.Prabhakaran

Vibrational Spectroscopic study and NBO Anaysis ON Tranexamic acid using DFT Method Asst.  Professor

International Journal of Current Research Vol 3(3) PP 078-083 (2011)

125.               

Muthu.S,Uma Maheswari.J and Sampath Krishnan.S

Molecular Vibrational Spectroscopic Studies on 5 Chloro -7- Iodoguinolin 8-ol by Density functional theory and HF method Asst.  Professor

Int.J.Ind Chem Vol 2 No 4, PP 223-234, (2011)

126.               

S.Muthu and Isac Paulraj

 

Molecular structure, vibrational spectra, first order hyper polarizability, NBO and HOMO-LUMO analysis of 4-amino-3(4-chlorophenyl) butanoic acid Asst.  Professor

Journal of Chemical and Pharmaceutical Research 3(5) 323-339,(2011)

127.               

Muthu Sambantham, Umamaheswari Jawahar

 

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

Part A  2012

Specrochimica Acta 2012

128.               

N.R.Sheela, S.Muthu and S.Sampath Krishnan

 

Vibrational Spectroscopic studies and computational study of 5-chlorp N-(4,5-dihydro-1H-imidazol-2-Yl)-2,1,3,-benzothiadiazol -4- amine

Der Pharma Chemica Vol  4(1)  PP 169-183, (2012)

129.               

Dr.K.Raju

1Ultrasonic’s studies on the molecular interaction of Ethyl Cellulose in n- Alkanols

Asian Journal of Chemistry Vol. 23No. 1 pp. 19- 222011

 

130.               

Dr. A. Bhasharan

1.Ground water pollution in the palar riverbed near vellore, Tamilnadu

Indian Journal of Science and Technology Vol. 4 No. 1pp. 19- 21Jan 2011

131.               

Mr.Muthu

Density functional theory and abinitio studies of vibrational spectra of Zonisamide

International Journal of current Research Vol.2 No. 2pp. 050- 058Jan 2011

132.               

Ms.N.R.Sheela

1.FTIR, FT Raman and UV- Visible Spectroscopic analysis of metformin hydrochloride

Asian Journal of Chemistry Vol. 22 No. 7pp. 5049- 50462010

133.               

Dr.Sampath Krishnan.S

1. Vibrational analysis of N-Acetyl thio urea

ULTRA SCIENCE Vol. 21(3) 691-698 2009

134.               

Dr.Sampath Krishnan.S

2. Vibrational analysis of 2 –halo propenes

INTERNATIONAL HOURNAL OF PHYSUCAK SCUEBCES Vol. 21(3) 473-476 2009

135.               

Dr.Raju.k

1. Acoustical studies on hydroxyl propyl methyl cellulose in alcohol methylene chloride mixture.

ASIAN HOURNAL OF CHEMISTRY Vol. 21 No 9 2009 Pp7279-7283

136.               

Dr.Raju.k

2. Study on the effect of alkali metal chlorides in aqueous solutions of sodium carboxy methyl cellulose using ultra sound

ASIAN JOURNAL OF CHEMISTRY Vol. 21 No 8 pp. 5929-5934 2009

137.               

Dr.Raju.k

3. Theoretical evaluation of ultra sonic velocity in binary mixture of aprotic & inert solvents.

JOURNAL OF CONVERGENCE IN ENGINEERING,TECHNOLOGY SCIENCE Vol. 1 pp. 32- 35 Dec 2009

138.               

Dr.S.Muthu

1.FTIR spectroscopic analysis on air fried serum films of disease to kidney & healthy subjects

ASIAN JOURNAL OF CHEMIXTRY Vol. 22 No 2 pp.  1118-11242010

139.               

Mr. A. Aravindan

 

Comparative study on the growth of optically held crystals L - Alanine (LA) and L - Alanine alaninium nitrate (LAAN)

Spectrochimica Acta Part A 71 297 – 304(2008)

 

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