Growth and characterization of Crystals. Raman, IR & SERS investigations of NLO crystals.

Quantum chemical computations using ab initio and Density Functional Theoretical methods for geometry Optimization and vibrational spectral prediction of Biomolecules for analysis of experimental results

Vibrational spectral studies of natural product Molecules with medicinal properties.

Vibrational spectral studies of anticancer drug molecules

Best poster presentation award in the section of Physical sciences at the 97th Indian Science Congress Association (ISCA) 03-07 January, 2010.

Member of the Sectional Committee of the section of Physical Sciences, 98th Indian Science Congress Association (2010-2011).

Member, Board of Studies in Physics (Pass), University of Kerala (2000-2003).

As question paper setter for external University Examinations

Member, Board of Studies in Physics, Scott Christian College, Nagercoil (Autonomous) (2008- ).

Editorial Committee of “2nd International Conference on Perspectives in Vibrational Spectroscopy (ICOPVS 2008)’ published by American Institute of Physics, USA.

Editor, Advisory Board of an International Journal: Asian Chemistry Letters from July 2009

Research Experience: 24 years
Number of papers published in Refereed International Journals: 67
Conferences papers : 155
Teaching / Guiding experience : 16 years
Ph.Ds produced:

1. C. James
2. M. Snehalatha
3. L. Padmaja
   
4. V. Bena Jothy
   
5. C. Ravikumar (submitted the thesis)

Research Students:

1. T.S. Xavier
2. C. Jesintha John
3. Bismi Edwin
4. M. Amalanathan (UGC Project Fellow)

As a Reviewer: Reviewed papers in the journals Journal of Raman Spectroscopy, Vibrational Spectroscopy, Journal of Molecular Structure (Theochem), Molecular Simulation, Spectroscopic Letters and Spectrochimica Acta A

1. Detection and Quantification of Adulteration in Sandalwood Oil through Near Infrared Spectroscopy
   Saji Kuriakose, Xavier Thankappan, I. Hubert Joe and Venkateswaran Venkataraman
   Analyst 2010 (in press).
2. Structural and nonlinear optical properties of cross-conjugated system benzophenone thiosemicarbazone: A vibrational spectroscopic study
   C. Ravikumar and I. Hubert Joe
   J. Raman Spectrosc. 2010 (in press).
   
3. Electronic absorption and vibrational spectra and nonlinear optical properties of 4-Methoxy-2-nitroaniline
   C. Ravikumar and I. Hubert Joe
   Physical Chemistry Chemical Physics 2010 (in press).
   
4. Charge transfer interaction and nonlinear optical properties of Barium chloride and thiourea complexes: A vibrational spectroscopic study
   M. Meena Kumari, Miss Pillai Indu Ramachandra, C. Ravikumar, I. Hubert Joe and I. Němec
   J. Raman Spectrosc. 2010 (in press).
   
5. Vibrational spectra and structural studies of nonlinear optical crystal ammonium D,L tartrate: A density functional theoretical approach
   S. Vidya, C. Ravikumar, I. Hubert Joe, P. Kumaradhas B. Devipriya and K. Raju,
   J. Raman Spectrosc. 2010 (in press).
   
6. DFT computations and Spectroscopic analysis of a Pesticide: Chlorothalonil
   D. Arul Dhas, I. Hubert Joe, S.D.D. Roy and T.H. Freeda
   Spectrochim. Acta Part A 2010 (in press)
   
7. Infrared spectral investigations and ab initio computations of pharmacological drug Goniofufurone monoacetate
   M. Amalanathan, C. Ravikumar, I. Hubert Joe, B. Remesh Kumar, M.D. Ajithabai, G. Jayakumar and B. Rajkumar
   Molecular Simulation 2010 (in press)
   
8. Relationships observed in the structure and spectra of uracil and its 5-substituted derivatives
   M. Alcolea Palafox, G. Tardajos, A. Guerrero-Martínez, J.K. Vats, Hubert Joe, and V.K. Rastogi
   Spectrochim. Acta Part A 2010 (in press)
   
9. Density functional theory (DFT) calculation and vibrational spectral analysis of 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one
   M. Amalanathan, I. Hubert Joe and Irena Kostova
   J. Raman Spectrosc. 2010 (in press).
   
10. Vibrational contributions to the second order nonlinear optical properties of π-conjugated structure Acetoacetanilide
    C. Ravikumar, I. Hubert Joe and D. Sajan
    Chemical Physics 369 (2010) 1-7.
    
11. Simulation of a tetramer form of 5-iodouracil: The vibrational spectra and molecular structure in the isolated and in the solid state by using DFT calculations
    M. Alcolea Palafox, V.K. Rastogi, A. Guerrero-Martínez, G. Tardajos, H. Joe, J.K. Vats
    Vibrational Spectroscopy, 52, 108-121 (2010).
    
12. Vibrational spectra and normal coordinate analysis of plant growth regulator 1- Naphthalene acetamide
    C. Ravikumar, L. Padmaja, and I. Hubert Joe
    Spectrochim. Acta Part A 75, 859-866 (2010).
    
13. Vibrational spectral characterization of new La(III) and Dy(III) complexes
    I. Kostova, I. Hubert Joe, S. Cinta Pinzaru
    Journal of Optoelectronics and Biomedical Materails 1, 188-199 (2009).
    
14. First order Molecular Hyperpolarizabilities and Intramolecular Charge Transfer from the Vibrational spectra of a Novel NLO Material: Ethyl-3-(3, 4-dihydroxyphenyl)-2-propenoate
    V. Bena Jothy, D. Sajan, C. Ravikumar, I. Němec, Chun-Nian Xia, V.S. Jayakumar and I. Hubert Joe
    J. Raman Spectrosc. 40, 1822–1830 (2009).
    
15. Vibrational spectra and potential energy distributions for 1-benzyl-1H-imidazole by normal coordinate analysis
    C. James, C. Ravikumar, V.S. Jayakumar and I. Hubert Joe
    J. Raman Spectrosc. 40, 537-545 (2009).
    
16. NBO analysis and vibrational spectra of 2,6 Bis(p-methyl benzylidene cyclohexanone) using density functional theory
    L. Padmaja, M. Amalanathan, C. Ravikumar and I. Hubert Joe
    Spectrochim. Acta Part A 74, 349–356, (2009).
    
17. Spectroscopic investigations and ab initio computations of the dye Chromotrope 2R
    M. Snehalatha, C. Ravikumar and I. Hubert Joe
    Solid State Sciences 11 (7) 1275-1282 (2009).
    
18. Vibrational spectra and scaled quantum chemical studies of the structure of Martius yellow sodium salt monohydrate
    M. Snehalatha, C. Ravikumar, I. Hubert Joe and V.S. Jayakumar
    J. Raman Spectrosc. 40, 1121-1126 (2009).
    
19. Theoretical and vibrational spectral investigation of sodium salt of Acenocoumarol
    I. Hubert Joe, Irena Kostova, C. Ravikumar, M. Amalanathan and S. Cîntă Pînzaru
    J. Raman Spectrosc. 40, 1033-1038 (2009).
    
20. Density Functional Study on the Structural Conformations and Intramolecular Charge Transfer from the Vibrational Spectra of the Anti-Cancer Drug Combretastatin-A2
    L. Padmaja, C. Ravikumar, D. Sajan, I. Hubert Joe, V.S. Jayakumar, G. R. Pettit and O. Faurskov Nielsen
    J. Raman Spectrosc. 40, 419-428 (2009).
    
21. Azure A Chloride: Computational and Spectroscopic Study
    M. Snehalatha, I. Hubert Joe, C. Ravikumar, and V.S. Jayakumar
    J. Raman Spectrosc. 40, 176-182 (2009).
    
22. Spectroscopic analysis and DFT Calculations of a food additive Carmoisine
    M. Snehalatha, C. Ravikumar, I. Hubert Joe, N. Sekar and V.S. Jayakumar
    Spectrochim. Acta Part A 72, 654-662 (2009).
    
23. Vibrational spectral studies on charge transfer and ionic hydrogen-bonding interactions of nonlinear optical material L-arginine nitrate hemihydrate
    T. Vijayakumar, I. Hubert Joe, C. P. Reghunadhan Nair, V. S. Jayakumar
    J. Raman Spectrosc. 40, 18-30 (2009).
    
24. Electron-phonon coupling and vibrational modes contributing to linear electro-optic effect of the efficient NLO chromophore 4-(N,N-dimethylamino)-N-methyl-4-toluene sulfonate (DAST) from their vibrational spectra
    T. Vijayakumar, I. Hubert Joe, C.P. Reghunadhan Nair, Mojca Jazbinsek, V.S. Jayakumar
    J. Raman Spectrosc. 40, 52-63 (2009).
    
25. Efficient π-electron conjugated push–pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study
    Jose P. Abraham, D. Sajan, Venkataraya Shettigar, S.M. Dharmaprakash, I. Němec, I. Hubert Joe, V.S. Jayakumar
    J. Mol. Struct. 917, 27-36 (2009).
    
26. Molecular Structure, Vibrational Spectra and First-order Molecular Hyperpolarizability of Potential anticancer drug, Combretastatin-A1
    D. Sajan, Jose P. Abraham, I. Hubert Joe, V.S. Jayakumar, J. Aubard and O. Faurskov Nielsen
    J. Mol. Struct. 889, 129-143 (2008).
    
27. Surface enhanced Raman spectra of the organic nonlinear optic material: Methyl 3-(4-methoxy phenyl)prop-2-enoate
    D. Sajan, I. Hubert Joe, V.S. Jayakumar and Jacek Zaleski
    J. Chem. Sci., 120, 1–6 (2008).
    
28. Molecular structure, Spectroscopic studies and First-order molecular hyperpolarizabilities of p-amino acetanilide
    Jose P. Abraham, D. Sajan, I. Hubert Joe and V.S. Jayakumar
    Spectrochim. Acta Part A 71, 355-367 (2008).
    
29. Structural conformations and electronic interactions of the natural product, oroxylin: a vibrational spectroscopic study
    Jose P. Abraham, D. Sajan, Joseph Mathew, I. Hubert Joe, V. George, V.S. Jayakumar
    J. Raman Spectrosc. 39, 1821-1831 (2008).
    
30. NIR-FT Raman, FT-IR and surface-enhanced Raman scattering spectra, with theoretical simulations on chloramphenicol
    D. Sajan, G. D. Sockalingum, M. Manfait, I. Hubert Joe, V. S. Jayakumar
    J. Raman Spectrosc. 39, 1772-1783 (2008).
    
31. Charge transfer interactions and nonlinear optical properties of push-pull chromophore Benzaldehyde phenylhydrazone: A vibrational approach
    C. Ravikumar, I. Hubert Joe and V.S. Jayakumar
    Chemical Physics Letters, 460, 552-558 (2008).
    
32. Analysis of vibrational spectra of L-Alanylglycine based on density functional theory calculations
    L. Padmaja, C. Ravikumar, C. James, V.S. Jayakumar and I. Hubert Joe
    Spectrochim. Acta Part A 71, 252-262 (2008).
    
33. FT-Raman, IR and UV-Visible spectral investigations and ab initio computations of a nonlinear food dye Amaranth
    M.Snehalatha, C. Ravikumar, N. Sekar, V.S. Jayakumar and I. Hubert Joe
    J. Raman Spectrosc. 39, 928-936 (2008).
    
34. FT-Raman and FTIR spectra, normal coordinate analysis and ab initio computations of (2-Methylphenoxy)acetic acid dimer
    C. James, C. Ravikumar, Tom Sundius, V. Krishnakumar, R. Kesavamoorthy, V.S. Jayakumar and I. Hubert Joe
    Vibrational Spectrosc. 47, 10-20 (2008)
    
35. Vibrational spectra and ab initio molecular orbital calculations of the novel anti-cancer drug combretastatin a-4 prodrug
    C. James, G.R. Pettit, O.F. Nielsen, V.S. Jayakumar and I. Hubert Joe
    Spectrochim. Acta Part A 70, 1208-1216 (2008)
    
36. Non-bonded interactions and its contribution to the NLO activity of Glycine Sodium Nitrate – A vibrational approach
    T. Vijayakumar, I. Hubert Joe, C. P. Reghunadhan Nair and V. S. Jayakumar
    J. Mol. Struct. 877, 20-35 (2008)
    
37. Quantum chemical computations and Fourier transform infrared spectral studies of a nonlinear food dye E110
    M. Snehalatha, N. Sekar, V.S. Jayakumar and I. Hubert Joe
    Spectrochim. Acta Part A 69, 82-90 (2008).
    
38. Efficient π electrons delocalization in prospective push–pull non-linear optical chromophore 4-[N,N-dimethylamino]-4′-nitro stilbene (DANS): A vibrational spectroscopic study
    T. Vijayakumar, I. Hubert Joe, C.P. Reghunadhan Nair and V.S. Jayakumar
    Chemical Physics, 343, 83-99, (2008).
    
39. NIR-FT Raman and FT-IR Spectral investigations of Non Linear Optical Chromophores P-Bromo Acetanilide
    V. Bena Jothy, T. Vijayakumar, V.S. Jayakumar, K. Udayalekshmi, Ramamoorthy and
    I. Hubert Joe
    J. Raman Spectrosc. 38, 1148-1158 (2007).
    
40. Natural bond orbital analysis and vibrational spectroscopic studies of H-bonded N,N'-diphenylguanidinium nitrate
    C. James, V.S. Jayakumar, I. Hubert Joe
    J. Mol. Struct. 830, 156-166 (2007).
    
41. Influence of Intermolecular Amide Hydrogen Bonding on Geometry, Atomic Charges and Spectral modes of Acetanilide: An Ab Initio Study
    J. Binoy, N.B. Prathima, C. Murali Krishna, C. Santhosh, I. Hubert Joe and V.S. Jayakumar
    Laser Physics 16, 1-11 (2006).
    
42. Vibrational spectral studies and the non-linear optical properties of a novel NLO material L-prolinium Tartrate
    L. Padmaja, T. Vijayakumar, I. Hubert Joe, C.P. Reghunadhan Nair and V.S. Jayakumar
    J. Raman Spectrosc. 37, 1427-1441 (2006).
    
43. Structural conformation and vibrational spectroscopic studies of 2,6-bis (p-N,N-dimethyl benzylidene) cyclohexanone using density functional theory
    C. James, A. Amal Raj, R. Reghunathan, V. S. Jayakumar and I. Hubert Joe
    J. Raman Spectrosc. 37,1381-1392 (2006) .
    
44. Dimerisation and vibrational spectroscopic properties of (RS) – phenylsuccinic acid
    D.Sajan, A. Fischer, I.Hubert Joe, V.S.Jayakumar
    J. Raman Spectrosc. 37,1307-1318 (2006) .
    
45. Vibrational Spectra and Ab Initio Computations of Sarcosinium Oxalate Monohydrate
    V. Bena Jothy, T. Vijayakumar, D. Sajan, V. S. Jayakumar and I. Hubert Joe
    Laser Physics 16, (8) 1242-1252 (2006).
    
46. Surface –enhanced Raman scattering and the adsorption behavior of (RS) – phenylsuccinic acid.
    D.Sajan, Andreas Fischer, I.Hubert Joe, V.S.Jayakumar
    Spectrochim. Acta Part A 61, 580-585 (2006).
    
47. NIR-FT Raman, FT-IR and surface-enhanced Raman scattering of organic nonlinear optic material: p-hydroxy acetophenone
    D.Sajan, I.Hubert Joe, V.S.Jayakumar
    J. Raman Spectrosc. 37, 508-519 (2006).
    
48. Structural and electronic contributions to hyperpolarizability in methyl p-hydroxy benzoate
    D. Sajan, Hubert Joe, V.S. Jayakumar, Jacek Zaleski
    J. Mol. Struct. 785, 43-53 (2006).
    
49. Vibrational analysis and Y-aromaticity in bis (N,N’-diphenyl guanidinium) oxalate crystal: A DFT study
    J. Binoy, C. James, I. Hubert Joe, V.S. Jayakumar
    J. Mol. Struct. 784, 32-46 (2006).
    
50. Changes in the vibrational spectral modes by the nonbonded interactions in the NLO crystal vanillin
    J. Binoy, I. Hubert Joe and V.S. Jayakumar
    J. Raman Spectrosc. 36, 1091-1100 (2005).
    
51. Vibrational spectra and density functional theoretical calculations on the antitumor drug, plumbagin
    D. Sajan, K. P. Laladhas, I. Hubert Joe and V. S. Jayakumar
    J. Raman Spectrosc. 36, 1001-1011 (2005).
    
52. DFT based relaxed PES scan studies and SERS of anti cancer drug, Combretastatin A-4
    J.Binoy, I.Hubert Joe, V.S.Jayakumar, O. F.Nielsen, and J. Aubard
    Laser Phys Lett. 2, (11) 544-550 (2005).
    
53. Intramolecular charge delocalization and nonlinear optical properties of Methyl 3-(4-methoxy phenyl) prop-2-enoate from vibrational spectra
    D. Sajan, I.H. Joe, J. Zaleski and V.S. Jayakumar
    Laser Phys Lett. 2, (7) 343-350 (2005).
    
54. Vibrational Spectral Studies of Methyl 3-(4-methoxy phenyl) prop-2-enoate, a new organic non-linear optic crystal
    D. Sajan, J. Benoy, I. Hubert Joe, V.S. Jayakumar and Jacek Zaleski
    J. Raman Spectrosc. 36, 221-236 (2005).
    
55. Near-infrared Fourier transform Raman, surface enhanced Raman scattering and Fourier transform infrared spectra and ab initio calculations of the natural product nodakenetin angelate
    J. Binoy, Jose P. Abraham, I. Hubert Joe, Varughese George, V.S Jayakumar, Jean Aubard and Ole Faurskov Nielsen
    J.Raman Spectrosc.36, 63-72 (2005).
    
56. NIR-FT Raman and FT-IR spectral studies and ab initio calculations of the anti-cancer drug combretastatin-A4
    J. Binoy, Jose P. Abraham, I. Hubert Joe, V.S.Jayakumar, G. R. Pettit and O. F. Nielsen
    J.Raman Spectrosc. 35, 939-946 (2004).
    
57. NIR – FT Raman and infra red spectra and ab initio computations of glycinium oxalate
    D. Sajan, J.Binoy, B. Pradeep, K. Venkata Krishna, V.B.Kartha, I. Hubert Joe, and V.S. Jayakumar
    Spectrochim. Acta part A 60, 173-180 (2004).
    
58. Vibrational spectra of cyclohexaphosphates
    V.S.Jayakumar, I. Hubert Joe, G.Aruldhas
    Asian Journal of Physics 38-55 (2004).
    
59. Bis (glycylglycinium) oxalate at 100 K
    Krzysztof Ejsmont, Jacek Zaleski, Isaac H. Joe and Victor S. Jayakumar
    Acta Crystallogr.C59 (10) o553- o555 (2003)
    
60. Vibrational spectroscopic studies on the natural product, columbianadin
    Jose P Abraham, I. Hubert Joe, V.George, O.F. Nielsen, and V.S. Jayakumar
    Spectrochim. Acta, Part A vol 59, 193-199 (2003).
    
61. FT-IR study of High Temp. Phase formation in sol-gel aluminium Titanate
    I. Hubert Joe, Asha Vasudevan,G.Aruldhas, A.D.Damodaran and K.G.K.Warrier
    J. Solid State Chemistry, 236, 480 (1997)
    
62. Vibrational and SERS spectra of spermine phosphate hexahydrate
    Antony Eapen, I. Hubert Joe and G.Aruldhas
    Spectrosc Lett. 30, 751, (1997).
    
63. FT-IR, Raman and SERS spectra of Arcain sulfate
    Antony Eapen, I. Hubert Joe and G.Aruldhas
    J. Solid State Chemistry, 235, 356 (1996)
    
64. Vibrational spectra of Phase transition in Triglycine sulphophosphate
    I. Hubert Joe, G.Aruldhas, V.Anbukumar, and P.Ramaswamy
    J. Cryst. Res. Tech. 29, 685 (1995)
    
65. FT-IR and Polarised Raman Spectra of N (CH3)4H2PO4.H2O.
    I. Hubert Joe, V.S.Jayakumar, G.Aruldhas
    J. Solid State Chemistry 120(2) 343 (1995).
    
66. IR and Single crystal Raman Spectra of Langbeinites: M+2Ni2 (SO4)3 (M= NH4, K)
    V.S. Jayakumar, I. Hubert Joe, G. Aruldhas
    Ferroelectrics, 165, 307 (1995).
    
67. FT-IR and Polarised Raman Spectra N2H5H2PO4
    I. Hubert Joe, V.S. Jayakumar, G. Aruldhas
    Acta Chimica Hungarica – Models in Chemistry 132(5), 747 (1995).
    

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