MAR IVANIOS COLLEGE (AUTONOMOUS)
FACULTY PROFILE
NAME
DEPARTMENT
DESIGNATION
ADDRESS
TELEPHONE NUMBER(S)
EMAIL ID(S)
ACADEMIC QUALIFICATIONS (with
name of degree awarding
University)
TEACHING EXPERIENCE
Dr.I.Hubert Joe
Physics
Associate Professor
Bethzak, T.C.20/1644(1), Sasthrinagar West -15, Karamana,
Thiruvananthapuram -695002.
0471-2340767
[email protected]

.Ph.D University of Kerala
LEVEL
YEARS OF SERVICE
1995- 1999
4
1999-2000
1
2000 -
15
INSTITUTION
Mar Ivanios
College
St.Johns
College,Anchal
Mar Ivanios
College
SPECIALIZATION
PUBLICATIONS/ PARTICIPATION IN
SEMINARS/ CONFERENCES ETC
NO. OF RESEARCH PAPERS
IN JOURNALS
NO. OF PUBLICATIONS IN
CONFERENCE PROCEEDINGS
NO. OF CONFERENCES
PARTICIPATED IN
INTERNATIONAL
NATIONAL
121
11
79
202
4
22
PROJECTS
DETAILS OF RESEARCH
SUPERVISION
HONOURS AND AWARDS
POSTS HELD
ANY OTHER INFORMATION
PHOTO
NO OF STUDENTS AWARDED Ph.D:11
NO. OF STUDENTS WITH SUBMITTED DISSERTATIONS:
NO. OF CURRENT STUDENTS:8
Best Presentation award ISCA 2009
Member BOS (PG) Sundaranar University, Tirunelveli
RESEARCH PAPERS IN NATIONAL JOURNALS
1. Density functional theory calculation and vibrational spectroscopic study of p-Hydroxy benzoic
acid dimer
V. Bena Jothy, M Amalanathan, V.K Rastogi, I. Hubert Joe
Asian Journal of Physics, Vol. 24 (2015) 00-00.
http://asianjournalofphysics.in/content2/vol-24-2015/vol-24-no-5
2. Vibrational Spectral investigations of L-Methioninium Acetate
G. Edwin Sheela, D. Manimaran, I. Hubert Joe, V. Bena Jothy, V.K. Rastogi
Asian Journal of Physics, Vol. 24 (2015) 00-00.
http://asianjournalofphysics.in/content2/vol-24-2015/vol-24-no-5
3. DFT and vibrational spectroscopic study on Glycinium Succinimide NLO active material
D. Arul Dhas, I. Hubert Joe, S.D.D Roy, S. Balachandran
Asian Journal of Physics, 22 (2013) 105-112.
http://asianjournalofphysics.in/content2/vol-22-no-3
4. Synthesis and characterization of ZnS thin films from polymer solutions by spin coating method
C. Sabitha, I Hubert Joe
Asian Journal of Physics, Vol-22, No-3, Pages: 131-134, September 2013
http://asianjournalofphysics.in/content2/vol-22-no-3
5. Synthesis and spectroscopic study of single crystal L-Leucinium squarate hemihydrates
Meera J Nath, S.D.D Roy, I. Hubert Joe
Asian Journal of Physics, Vol-22, No-3, Pages: 119 - 124, September 2013.
http://asianjournalofphysics.in/content2/vol-22-no-3
6. DFT and Vibrational Spectra studies of Caffeinium Picrate
S. Alen, V. Bena Jothy, C. Jesintha John, V.K. Rastogi, I. Hubert Joe
Physical & Environmental Science Bulletin, 1(2013) 5-18.
7. Molecular structure and spectroscopic properties of L-histidinium dihydrogenmonophosphate
monohydrate: FT-Raman, FT-IR, SERS and DFT computations
V. Bena Jothy, M. Amalanathan, V.K. Rastogi, I. Hubert Joe
Asian Journal of Spectroscopy, Special Issue (2012) 207-224.
8. Molecular Structure, Vibrational spectra and theoretical studies of Bis Glycyl glycinium Oxalate
V. Bena Jothy, M. Amalanathan, D. Sajan, V.K. Rastogi, I. Hubert Joe
Asian Journal of spectroscopy, (2010) 87-105.
9. Vibrational spectral simulation and DFT study of 3-Formylphenylboronic acid by normal
coordinate analysis
T.S. Xavier, M. Alcolea Palafox, I. Hubert Joe, V.K. Rastogi
Asian Chemistry letters, 3(2009) 213-220.
10. Vibrational spectral characterization of new La(III) and Dy(III) complexes
I. Kostova, I. Hubert Joe, S. Cinta Pinzaru
Journal of Optoelectronics and Biomedical Materials, 1 (2009)188-199.
http://www.chalcogen.ro/jobm.html
11. Vibrational spectra of cyclohexaphosphates
V.S. Jayakumar, I. Hubert Joe, G. Aruldhas
Asian Journal of Physics, (2004) 38-55.
RESEARCH PAPERS IN INTERNATIONAL JOURNALS
1. Spectral Investigations, DFT Computations and molecular docking studies of the antimicrobial 5Nitroisatin dimer
T. Joselin Beaula, I. Hubert Joe, V.K. Rastogi, V. Bena Jothy
Chemical Physics Letters, 624 (2015) 93-101.
http://www.sciencedirect.com/science/article/pii/S0009261415001086
2. Structure and nonlinear optical property analysis of l-Methioninium Oxalate: A DFT approach
G. Edwin Sheela, D. Manimaran, I. Hubert Joe, Sherifa Rahim, V. Bena Jothy
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 143 (2015) 40-48.
http://www.sciencedirect.com/science/article/pii/S1386142515001900
3. Widely tunable LP11 Cladding Mode Resonance in a Twisted Mechanically Induced Long Period
Fiber Grating
Anitha S. Nair, V.P. Sudeep Kumar, Hubert Joe
Applied Optics, 54 (2015) 2007-2010.
http://www.opticsinfobase.org/ao/upcoming_pdf.cfm?id=226100
4. Quantum Chemical Computations, Vibrational Spectroscopic Analysis and Antimicrobial studies of
2, 3- Pyrazinedicarboxylic Acid
T. Joselin Beaula, A. Packiavathi, D. Manimaran, I. Hubert Joe, V.K. Rastogi, V. Bena Jothy
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 138 (2015) 723-735.
http://www.sciencedirect.com/science/article/pii/S138614251401693X
5. FT-IR and FT-Raman spectra, MEP and HOMO-LUMO of 2,5-dichlorobenzonitrile: DFT study
M. Alcolea Palafox, Daisy Bhat, Yasha Goyal, Shabbir Ahmad, I. Hubert Joe, V.K. Rastogi
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 136 (2015) 464-472.
http://www.sciencedirect.com/science/article/pii/S1386142514014164
6. Spectroscopic analysis and charge transfer interaction studies of 4-benzyloxy-2-nitroaniline
insecticide: A density functional theoretical approach
D. Arul Dhas, I. Hubert Joe, S.D.D. Roy, S. Balachandran
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 135 (2015) 583-596.
http://www.sciencedirect.com/science/article/pii/S1386142514010361
7. Twist sensitivity of Cladding Mode Resonances and its cross sensitivity to strain and temperature in
a Mechanically Induced Long Period Fiber Grating
Anitha S. Nair, V. P. Sudeep Kumar, Hubert Joe
Fiber and Integrated Optics, 33 (2014) 347-359.
http://www.tandfonline.com/doi/full/10.1080/01468030.2014.979958
8. Studies on molecular structure, vibrational spectra and molecular Docking analysis of 3-Methyl1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate
D.M. Suresh, M. Amalanathan, I. Hubert Joe, V. Bena Jothy, Yun-Peng Diao
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 130 (2014) 591-603.
http://www.sciencedirect.com/science/article/pii/S1386142514004545
9. Vibrational Spectroscopic Studies and DFT Computation of the nonlinear optical molecule LValinium Formate
T. Joselin Beaula, D. Manimaran, I. Hubert Joe, V.K. Rastogi, V. Bena Jothy
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 126 (2014) 170-177.
http://www.sciencedirect.com/science/article/pii/S1386142514001097
10. Molecular Structure, Vibrational Spectral Investigation and the Confirmation Analysis of 4–
Methylesculetin Molecule
Y. Erdogdu, M. Guzel, M. T. Güllüolu, M. Amalanathan, S. Saglam, and I. Hubert Joe
Optics and Spectroscopy, 116 (2014) 348-359.
http://link.springer.com/article/10.1134/S0030400X14030059
11. FT-IR, FT-Raman spectra and other molecular properties of 2, 4- dichlorobenzonitrile: A
Interpretation by a DFT study
D. Kattan, M. Alcolea Palafox, S. Kumar, D. Manimaran, Hubert Joe, V.K. Rastogi
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 213 (2014) 89-97.
http://www.sciencedirect.com/science/article/pii/S1386142513014832
12. FT-IR Spectroscopy as a sentinel technology in earthworm toxicology
M Aja, M. Jaya, K. Vijayakumar Nair, I. Hubert Joe
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 120 (2014) 534-541.
http://www.sciencedirect.com/science/article/pii/S1386142513014327
13. Normal coordinate analysis and Nonlinear Optical Response of cross-conjugated system 4,4Dimethyl Benzophenone
M. Amalanathan, T.S. Xavier, I. Hubert Joe, V.K. Rastogi
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 116 (2013) 574-583.
http://www.sciencedirect.com/science/article/pii/S1386142513008482
14. FT-IR, FT-Raman spectra and other molecular properties of 3, 5-dichlorobenzonitrile: A DFT
study
M. Alcolea Palafox, V. Bena Jothy, Surabhi Singhal, I. Hubert Joe, Satendra kumar, V.K. Rastogi
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 116 (2013) 509-517.
http://www.sciencedirect.com/science/article/pii/S1386142513007762
15. Feasibility of using near infrared spectroscopy to detect and quantify an adulterant in high quality
sandalwood oil
Spectrochimica Acta Part A, 115 (2013) 568-573.
Saji Kuriakose, I. Hubert Joe
http://www.sciencedirect.com/science/article/pii/S138614251300680X
16. Vibrational Spectral Investigation and natural bond orbital analysis of Pharmaceutical compound 7Amino-2,4-dimethylquinolinium formate- DFT approach
Spectrochimica Acta Part A, 115 (2013) 595-602.
D.M. Suresh, M. Amalanathan, S. Sebastian, D. Sajan, I. Hubert Joe, V. Bena Jothy, Ivan Nemec
http://www.sciencedirect.com/science/article/pii/S1386142513006811
17. FT-Raman, FT-IR and UV-visible spectral investigations and ab initio computations of antiepileptic drug: Vigabatrin
Bismi Edwin, I. Hubert Joe
Spectrochimica Acta A, 114 (2013) 633-641.
http://www.sciencedirect.com/science/article/pii/S1386142513005702
18. Vibrational spectral investigations and density functional theory study of 4-Formylbenzoic acid
T.S. Xavier, I. Hubert Joe, M.A. Palafox, Satendra Kumar, V.K. Rastogi
Spectrochimica Acta A, 114 (2013) 502-508.
http://www.sciencedirect.com/science/article/pii/S138614251300574X
19. The biomolecule of 5-bromocytosine: FT-IR and FT-Raman spectra and DFT calculations.
Identification of the tautomers in the isolated state and simulation the spectra in the solid state
M. Alcolea Palafox, V.K. Rastogi, Satendra Kumar, Hubert Joe
Spectrochimica Acta A, 111 (2013) 104-122.
http://www.sciencedirect.com/science/article/pii/S1386142513002321
20. Structural conformations and density functional study on the intramolecular charge transfer based
on vibrational spectra of 2,4-dihydroxy-N’-(4-methoxybenzylidene)benzohydrazide
D.M. Suresh, D. Sajan, Yun-Peng Diao, Ivan Neˇmec, I. Hubert Joe, V. Bena Jothy
Spectrochimica Acta A, 110 (2013) 157-168.
http://www.sciencedirect.com/science/article/pii/S1386142513001054
21. FT-IR, FT-Raman, NMR spectra and DFT simulations of 4-(4-fluoro-phenyl)-1H-imidazole
Y. Erdogdu, D. Manimaran, M. T. Güllüoǧlu, M. Amalanathan, I. Hubert Joe, S̨. Yurdakul
Optics and Spectroscopy 114 (2013) 525-536.
http://link.springer.com/article/10.1134%2FS0030400X13040073
22. Molecular structure and vibrational spectral investigation of charge transfer NLO crystal
Naphthalene Picrate for THz application
M. Amalanathan, I. Hubert Joe, V.K. Rastogi
Spectrochimica Acta A, 108 (2013) 256-267.
http://www.sciencedirect.com/science/article/pii/S1386142513001364
23. Simulation of a tetramer form of 5-chlorouracil: The vibrational spectra and molecular structure in
the isolated and in the solid state by using DFT calculations
S. Ortiz, M. Alcolea Palafox, V.K. Rastogi, T. Akitsu, I. Hubert Joe, Satendra Kumar
Spectrochimica Acta A, 110 (2013) 404-418.
http://www.sciencedirect.com/science/article/pii/S138614251300228X
24. Growth and vibrational spectral investigation of nonlinear optical crystal L-Argininum PerchlorateDFT study
D. Manimaran, C. Jesintha John, V.K. Rastogi, I. Hubert Joe
Spectrochimica Acta A, 109 (2013) 173-178.
http://www.sciencedirect.com/science/article/pii/S138614251300173X
25. DFT computation and experimental analysis of vibrational and electronic spectra of phenoxy acetic
acid herbicides
D. Arul Dhas, I. Hubert Joe, S.D.D. Roy, S. Balachandran
Spectrochimica Acta A, 108 (2013) 89-99.
http://www.sciencedirect.com/science/article/pii/S1386142513001194
26. Vibrational spectral analysis of anti-neuro-degenerative drug Levodopa: a DFT study
Bismi Edwin, I. Hubert Joe
Journal of Molecular structure, 1034 (2013) 119-127.
http://www.sciencedirect.com/science/article/pii/S0022286012008265
27. Vibrational spectra and density functional theoretical calculations on the anti-neurodegenerative
drug: Orphenadrine hydrochloride
Bismi Edwin, I. Hubert Joe
Spectrochimica Acta Part A: MBS 97 (2012) 838–846.
http://www.sciencedirect.com/science/article/pii/S1386142512006002
28. Vibrational spectra and natural bond orbital analysis of organic crystal L-prolinium picrate
Bismi Edwin, M. Amalanathan, I. Hubert Joe
Spectrochimica Acta A, 96 (2012) 10–17.
http://www.sciencedirect.com/science/article/pii/S1386142512004143
29. Qualitative and quantitative analysis in sandalwood oils using near infrared spectroscopy combined
with chemometric techniques
Saji Kuriakose, Hubert Joe
Food Chemistry, 135 (2012) 213–218.
http://www.sciencedirect.com/science/article/pii/S0308814612007364
30. Vibrational spectral investigation and Natural Bond Orbital analysis of anti-rheumatoid drug Ethyl
4-nitrophenylacetate–DFT approach
D.M. Suresh, M. Amalanathan, S. Sebastian, D. Sajan, I. Hubert Joe, V. Bena Jothy
Spectrochimica Acta A, 98 (2012) 413-422.
http://www.sciencedirect.com/science/article/pii/S1386142512008281
31. Density functional theory studies on Molecular structure and Vibrational spectra of NLO crystal LPhenylalanine phenylalanium nitrate for THz application
M. Amalanathan, I. Hubert Joe and V. K. Rastogi
Journal of Molecular Structure, 1006 (2011) 513-526.
http://www.sciencedirect.com/science/article/pii/S0022286011007873
32. The effect of electron charge transfer in biological activity and vibrational wavenumbers of 20Deoxyuridine and 5-Fluoro-2’-Deoxyuridine: DFT approach
T.S. Xavier and I. Hubert Joe
Solid State Sciences, 13(2011)1906-1915.
http://www.sciencedirect.com/science/article/pii/S1293255811002573
33. Spectroscopic investigation and hydrogen-bonding analysis of triazinones
D. Arul Dhas, I. Hubert Joe, S. D. D. Roy and S. Balachandran
Journal of Molecular Modelling 18 (2012) 3587–3608.
http://link.springer.com/article/10.1007%2Fs00894-011-1237-7?LI=true
34. Electronic Absorption and Vibrational Spectra and Nonlinear Optical Properties of L-Valinium
Succinate
C. Jesintha John, T.S Xavier, G. Lukose and I. Hubert Joe
Spectrochimica Acta Part A: MBS, 85(2012) 66-73.
http://www.sciencedirect.com/science/article/pii/S1386142511008171
35. Analysis of Vibrational Spectra and Nonlinear Optical Properties of Organic Molecule LAlaninium Formate
C. Jesintha John, T.S Xavier, M. Amalanathan, I. Hubert Joe and V. K. Rastogi
Spectrochimica Acta part A, 86(2012)174-180.
http://www.sciencedirect.com/science/article/pii/S1386142511009231
36. Surface-Enhanced Raman scattering and DFT theoretical studies on the absorption behaviour of
Plumbagin on silver nanoparticles
D. Sajan, Thomas Kuruvilla, K.P. Laladhas, I. Hubert Joe
Indian Journal of Physics, 85 (2011) 477-484.
http://link.springer.com/article/10.1007%2Fs12648-011-0054-2?LI=true
37. DFT-based molecular modeling, NBO analysis and vibrational spectroscopic study of 3(Bromoacetyl) coumarin
D. Sajan, Y. Erdogdu, R. Reshmy, Ö. Dereli, K. Kurien Thomas, I. Hubert Joe
Spectrochimica Acta Part A, 82(2011)118-125.
http://www.sciencedirect.com/science/article/pii/S1386142511006032
38. Intramolecular Charge Transfer in the Semi Organic NLO Material Sodium Acid Phthalate
Hemihydrate: Vibrational Spectroscopy and Z-Scan Study
D. Sajan, N. Vijayan, K. Safakath, Reji Philip and I. Hubert Joe
Journal of Physical Chemistry A, 115 (2011) 8216–8226.
http://pubs.acs.org/doi/abs/10.1021/jp201818y
39. Vibrational spectra and first order hyperpolarizability studies of Dimethyl amino pyridinium 4nitrophenolate 4-nitrophenol
C. Jesintha John, M. Amalanathan, A.R. Twinkle, P. Srinivasan, I. Hubert Joe
Spectrochimica Acta Part A, 81(2011)151-161.
http://www.sciencedirect.com/science/article/pii/S1386142511004653
40. Nonplanar property study of antifungal agent tolnaftate-spectroscopic approach
D. Arul Dhas, I. Hubert Joe, S. D. D. Roy, S. Balachandran
Spectrochimica Acta Part A, 79 (2011) 993-1003.
http://www.sciencedirect.com/science/article/pii/S1386142511002459
41. FT-IR, Raman and DFT study of 2-amino-5-fluorobenzoic acid and its biological activity with
other halogen (Cl, Br) substitution
Xavier .T .S, I. Hubert Joe
Spectrochimica Acta Part A, 79 (2011) 332–337.
http://www.sciencedirect.com/science/article/pii/S1386142511001302
42. Density functional theory calculations and vibrational spectral analysis of 3,5-(dinitro benzoic
acid)
M. Amalanathan, V. K. Rastogi, I. Hubert Joe, M. A. Palafox, Rashmi Tomar
Spectrochimica Acta Part A, 78(2011)1437-1444.
http://www.sciencedirect.com/science/article/pii/S1386142511000394
43. Vibrational spectra and DFT study of anticancer active molecule 2-(4-Bromophenyl)-1Hbenzimidazole by normal coordinate analysis
T.S. Xavier, Naghmana Rashid, I. Hubert Joe
Spectrochimica Acta Part A, 78 (2011) 319–326.
http://www.sciencedirect.com/science/article/pii/S1386142510005299
44. Intramolecular charge delocalization and nonlinear optical properties of push–pull chromophore
1-(4-N, N-dimethylaminopyridinium) acetic acid bromide monohydrate from vibrational spectra
C. Jesintha John, M. Amalanathan, D. Sajan, K. Udaya Lakshmi, I. Hubert Joe
Spectrochimica Acta Part A, 78 (2011) 264–272.
http://www.sciencedirect.com/science/article/pii/S1386142510005214
45. Molecular structure and vibrational spectra of 2,6-bis(benzylidene)cyclohexanone: A density
functional theoretical study
D. Sajan, K. Udaya Lakshmi, Y. Erdogdu, I. Hubert Joe
Spectrochimica Acta Part A, 78 (2011) 113–121.
http://www.sciencedirect.com/science/article/pii/S1386142510004786
46. Charge transfer interaction and nonlinear optical properties of barium chloride
and thiourea complexes: a vibrational spectroscopic study
M. Meena Kumari, Indu Ramachandra Pillai, C. Ravikumar, I. Hubert Joe and I. Nˇemec
Journal of Raman Spectroscopy, 42(2011)1462–1469.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2854/abstract?deniedAccessCustomisedMessage=&use
rIsAuthenticated=false
47. Electronic and structural effects on the nonlinear optical behavior in π-conjugated
Structure bis (4-nitrophenyl) carbonate: a vibrational spectroscopic approach
C. Ravikumar, Miss Pillai Indu Ramachandra and I. Hubert Joe
Journal of Raman Spectroscopy, 42 (2011)1193–1201.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2815/abstract?deniedAccessCustomisedMessage=&use
rIsAuthenticated=false
48. Structural and nonlinear optical properties of cross-conjugated system benzophenone
thiosemicarbazone: a vibrational spectroscopic study
C. Ravikumar and I. Hubert Joe
Journal of Raman Spectroscopy, 42 (2011) 815-824.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2788/abstract?deniedAccessCustomisedMessage=&use
rIsAuthenticated=false
49. 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
Journal of Raman Spectroscopy, 42 (2011) 676–684.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2743/abstract?deniedAccessCustomisedMessage=&use
rIsAuthenticated=false
50. Molecular structure, vibrational spectra and nonlinear optical properties of L-Valine
Hydrobromide: DFT study
M. Amalanathan, I. Hubert Joe, V.K. Rastogi
Journal of Molecular Structure, 985 (2011) 48–56.
http://www.sciencedirect.com/science/article/pii/S0022286010008124
51. Electronic absorption and vibrational spectra and nonlinear optical properties of 4-methoxy-2nitroaniline
C. Ravikumar and I. Hubert Joe
Physical Chemistry Chemical Physics, 12 (2010) 9452–9460.
http://pubs.rsc.org/en/content/articlelanding/2010/cp/b927190b
52. Detection and quantification of adulteration in sandalwood oil through near infrared spectroscopy
Saji Kuriakose, Xavier Thankappan, Hubert Joe and Venkateswaran Venkataraman
Analyst, 135 (2010) 2676-2681.
http://pubs.rsc.org/en/content/articlelanding/2010/an/c0an00261e
53. Density functional theory calculation and vibrational spectral analysis of 4-hydroxy-3-(3-oxo-1phenylbutyl)-2H-1-benzopyran-2-one
M. Amalanathan, I. Hubert Joe and Irena Kostova
Journal of Raman Spectroscopy, 41(2010)1076–1084.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2543/abstract?deniedAccessCustomisedMessage=&use
rIsAuthenticated=false
54. Charge Transfer Interaction and Terahertz Studies of a Nonlinear Optical Material
L-Glutamine Picrate: A DFT Study
M. Amalanathan, I. Hubert Joe, and S. S. Prabhu
Journal of Physical Chemistry A, 114 (2010) 13055–13064.
http://pubs.acs.org/doi/abs/10.1021/jp107414x
55. Molecular first order hyperpolarizability and vibrational spectral investigation
of Warfarin sodium
Irena Kostova, M. Amalanathan, I. Hubert Joe
Chemical Physics, 378 (2010) 88–102.
http://www.sciencedirect.com/science/article/pii/S0301010410004647
56. Vibrational contributions to the second-order nonlinear optical properties of p-conjugated
structure acetoacetanilide
C. Ravikumar, I. Hubert Joe, D. Sajan
Chemical Physics, 369 (2010) 1-7.
http://www.sciencedirect.com/science/article/pii/S0301010410000352
57. NIR–FT Raman, FT–IR and surface-enhanced Raman scattering and DFT based theoretical
studies on the adsorption behaviour of (S)-Phenylsuccinic acid on silver nanoparticles
D Sajan, V Bena Jothy, Thomas Kuruvilla and I Hubert Joe
Journal of Chemical Science, 122 (2010) 511–519.
http://link.springer.com/article/10.1007%2Fs12039-010-0085-9?LI=true
58. DFT computations and spectroscopic analysis of a pesticide: Chlorothalonil
D. Arul Dhas, I. Hubert Joe, S.D.D. Roy, T.H. Freeda
Spectrochimica Acta Part A, 77 (2010) 36–44.
http://www.sciencedirect.com/science/article/pii/S1386142510002052
59. 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, V.K. Rastogi
Spectrochimica Acta Part A, 75(2010)1261-1269.
http://www.sciencedirect.com/science/article/pii/S1386142509006891
60. Vibrational spectra and normal coordinate analysis of plant growth regulator 1-naphthalene
acetamide
C. Ravikumar, L. Padmaja, I. Hubert Joe
Spectrochimica Acta Part A, 75 (2010) 859–866.
http://www.sciencedirect.com/science/article/pii/S1386142509006556
61. Vibrational spectra and first-order molecular hyperpolarizabilities of p-hydroxybenzaldehyde
dimer
D. Sajan, Y. Erdogdu, Thomas Kuruvilla, I. Hubert Joe
Journal of Molecular Structure, 983 (2010) 12–21.
http://www.sciencedirect.com/science/article/pii/S0022286010006538
62. Infrared and Raman spectra, vibrational assignment, NBO analysis and DFT calculations of 6aminoflavone
Y. Erdogdu, O. Unsalan, M. Amalanathan, I. Hubert Joe
Journal of Molecular Structure, 980 (2010) 24-30.
http://www.sciencedirect.com/science/article/pii/S0022286010005417
63. 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 (2010) 108-112.
http://www.sciencedirect.com/science/article/pii/S0924203109001210
64. Intramolecular charge transfer and hydrogen bonding interactions of nonlinear
optical material N-benzoyl glycine: Vibrational spectral study
D. Sajan, H.J. Ravindra, Neeraj Misra, I. Hubert Joe
Vibrational Spectroscopy, 54 (2010) 72-80.
http://www.sciencedirect.com/science/article/pii/S0924203110001049
65. First order molecular hyperpolarizabilities and intramolecular charge transfer from the vibrational
spectra of NLO material: ethyl-3-(3, 4-dihydroxyphenyl)-2-propenoate
V. Bena Jothy, D. Sajan, C. Ravikumar, I. Nˇemec, Chun-Nian Xia,
V. K. Rastogi and I. Hubert Joe
Journal of Raman Spectroscopy, 40(2009)1822-1830.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2326/abstract
66. Vibrational spectra and scaled quantum chemical studies of the structure of Martius yellow
sodium saltmonohydrate
M. Snehalatha, C. Ravikumar, I. Hubert Joe and V. S. Jayakumar
Journal of Raman Spectroscopy, 40(2009) 1121–1126.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2244/abstract
67. Theoretical and vibrational spectral investigation of sodium salt of acenocoumarol
I. Hubert Joe, Irena Kostova, C. Ravikumar, M. Amalanathan and Simona Cînt Pînzaru
Journal of Raman Spectroscopy, 40 (2009) 1033–1038.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2226/abstract
68. 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
Journal of Raman Spectroscopy, 40 (2009) 537–545.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2160/abstract
69. Density functional study on the structural conformations and intramolecular charge
transfer from the vibrational spectra of the anticancer drug combretastatin-A2
L. Padmaja, C. Ravikumar, D. Sajan, I. Hubert Joe, V. S. Jayakumar, G. R. Pettit and O. Faurskov
Nielsen
Journal of Raman Spectroscopy, 40(2009) 419–428.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2145/abstract
70. Azure A chloride: computational and spectroscopic study
M. Snehalatha, I. Hubert Joe, C. Ravikumar and V. S. Jayakumar
Journal of Raman Spectroscopy, 40(2009)176–182.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2102/abstract
71. 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 and V. S. Jayakumar
Journal of Raman Spectroscopy, 40 (2009)52–63.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2073/abstract
72. 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 and V. S. Jayakumar
Journal of Raman Spectroscopy, 40(2009)18–30.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2062/abstract
73. NBO analysis and vibrational spectra of 2,6-bis(p-methyl benzylidene cyclohexanone) using
density functional theory
L. Padmaja, M. Amalanathan, C. Ravikumar, I. Hubert Joe
Spectrochimica Acta Part A, 74 (2009) 349–356.
http://www.sciencedirect.com/science/article/pii/S1386142509002789
74. Spectroscopic analysis and DFT calculations of a food additive Carmoisine
M. Snehalatha, C. Ravikumar, I. Hubert Joe, N. Sekar, V.S. Jayakumar
Spectrochimica Acta Part A, 72 (2009) 654–662.
http://www.sciencedirect.com/science/article/pii/S1386142508006203
75. Spectroscopic investigations and ab initio computations of the dye Chromotrope 2R
M. Snehalatha, C. Ravikumar, I. Hubert Joe
Solid State Sciences, 11 (2009) 1275–1282.
http://www.sciencedirect.com/science/article/pii/S1293255809001046
76. 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. Neˇmec,
I. Hubert Joe, V.S. Jayakumar
Journal of Molecular Structure, 917 (2009) 27–36.
http://www.sciencedirect.com/science/article/pii/S002228600800478X
77. 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 and V. S. Jayakumar
Journal of Raman Spectroscopy, 39(2008)1821–1831.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2045/abstract
78. 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 and V. S. Jayakumar
Journal of Raman Spectroscopy, 39(2008)1772–1783.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.2033/abstract
79. 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
Journal of Raman Spectroscopy, 39(2008) 928–936.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1938/abstract
80. Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of pamino acetanilide
Jose P. Abraham, D. Sajan, I. Hubert Joe, V.S. Jayakumar
Spectrochimica Acta Part A, 71 (2008) 355–367.
http://www.sciencedirect.com/science/article/pii/S1386142508000073
81. Analysis of vibrational spectra of l-alanylglycine based on density functional theory calculations
L. Padmaja, C. Ravikumar, C. James, V.S. Jayakumar, I. Hubert Joe
Spectrochimica Acta Part A, 71 (2008) 252–262.
http://www.sciencedirect.com/science/article/pii/S1386142507007019
82. 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, I. Hubert Joe
Spectrochimica Acta Part A, 70 (2008) 1208–1216.
http://www.sciencedirect.com/science/article/pii/S138614250700618X
83. Quantum chemical computations and Fourier transform infrared spectral studies of a nonlinear
food dye E110
M. Snehalatha, N. Sekar, V.S. Jayakumar, I. Hubert Joe
Spectrochimica Acta Part A, 69 (2008) 82–90.
http://www.sciencedirect.com/science/article/pii/S1386142507001369
84. Molecular structure, vibrational spectra and first-order molecular hyperpolarizabilities of potential
anti-cancer drug, combretastatin-A1
D. Sajan, Jose P. Abraham, I. Hubert Joe, V.S. Jayakumar, J. Aubard, O. Faurskov Nielsen
Journal of Molecular Structure, 889 (2008) 129–143.
http://www.sciencedirect.com/science/article/pii/S002228600800077X
85. 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, V.S. Jayakumar
Journal of Molecular Structure, 877 (2008) 20–35.
http://www.sciencedirect.com/science/article/pii/S0022286007004796
86. Efficient π-electrons delocalization in prospective push–pull non-linear optical chromophore 4[N,N-dimethylamino]-40-nitro stilbene (DANS): A vibrational spectroscopic study
T. Vijayakumar, I. Hubert Joe, C.P. Reghunadhan Nair, V.S. Jayakumar
Chemical Physics, 343 (2008) 83–99.
http://www.sciencedirect.com/science/article/pii/S0301010407005186
87. Charge transfer interactions and nonlinear optical properties of push–pull chromophore
benzaldehyde phenylhydrazone: A vibrational approach
C. Ravikumar, I. Hubert Joe, V.S. Jayakumar
Chemical Physics Letters, 460 (2008) 552–558.
http://www.sciencedirect.com/science/article/pii/S0009261408008646
88. 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, Jacek Zaleski
Journal of Chemical Science, 120 (2008) 1–6.
http://link.springer.com/article/10.1007%2Fs12039-008-0064-6?LI=true
89. FT-Raman and FTIR spectra, normal coordinate analysis and ab initio computations of (2methylphenoxy)acetic acid dimer
C. James, C. Ravikumar, Tom Sundius, V. Krishnakumar, R. Kesavamoorthy, V.S. Jayakumar, I.
Hubert Joe
Vibrational Spectroscopy, 47 (2008) 10–20.
http://www.sciencedirect.com/science/article/pii/S0924203108000118
90. Natural bond orbital analysis and vibrational spectroscopic studies of H-bonded N,N'diphenylguanidinium nitrate
C. James, V.S. Jayakumar, I. Hubert Joe
Journal of Molecular Structure, 830 (2007)156-166.
http://www.sciencedirect.com/science/article/pii/S0022286006006387
91. Surface-Enhanced Raman Scattering of Methyl p-Hydroxy Benzoate: A Molecular Orientational
Study
D. Sajan, N. B. Prathima, C. Murali Krishna, I. Hubert Joe and V. S. Jayakumar
Laser Physics, 17 (2007)1217–1221.
http://link.springer.com/article/10.1134%2FS1054660X07100052?LI=true
92. NIR-FT Raman and FT-IR spectral investigations of the nonlinear optical chromophore pbromoacetanilide
V. Bena Jothy, T. Vijayakumar, V. S. Jayakumar, K. Udayalekshmi, K. Ramamoorthy
and I. Hubert Joe
Journal of Raman Spectroscopy, 38 (2007) 1148-1158.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1743/abstract
93. Influence of Intermolecular Amide Hydrogen Bonding on the 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 (2006) 1253–1263.
http://link.springer.com/article/10.1134%2FS1054660X06080147?LI=true
94. 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 (2006)1242–1252.
http://link.springer.com/article/10.1134%2FS1054660X06080135?LI=true
95. Vibrational spectral studies and the non-linear optical properties of a novel NLO material Lprolinium tartrate
L. Padmaja, T. Vijayakumar, I. Hubert Joe, C. P. Reghunadhan Nair and V. S. Jayakumar
Journal of Raman Spectroscopy, 37(2006) 1427–1441.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1575/abstract
96. 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
Journal of Raman Spectroscopy, 37(2006) 1381–1392.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1554/abstract
97. Dimerisation and vibrational spectroscopic properties of (RS)-phenylsuccinic acid
D. Sajan, A. Fischer, I. Hubert Joe and V. S. Jayakumar
Journal of Raman Spectroscopy, 37(2006)1307–1318.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1563/abstract
98. NIR-FT Raman, FT-IR and surface-enhanced Raman scattering spectra of organic nonlinear
optic material: p-hydroxy acetophenone
D. Sajan, I. Hubert Joe and V. S. Jayakumar
Journal of Raman Spectroscopy, 37(2006)508–519.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1424/abstract
99. Structural and electronic contributions to hyperpolarizability in methyl p-hydroxy benzoate
D. Sajan, Hubert Joe, V.S. Jayakumar, Jacek Zaleski
Journal of Molecular Structure, 785 (2006) 43-53.
http://www.sciencedirect.com/science/article/pii/S0022286005006964
100. 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
Journal of Molecular Structure, 784 (2006) 32–46.
http://www.sciencedirect.com/science/article/pii/S002228600500493X
101. Surface-enhanced Raman scattering and the adsorption behavior of (RS)-phenylsuccinic acid
D. Sajan, Andreas Fischer, I. Hubert Joe, V.S. Jayakumar
Spectrochimica Acta Part A, 64 (2006) 580–585.
http://www.sciencedirect.com/science/article/pii/S1386142505004269
102. Changes in the vibrational spectral modes by the nonbonded interactions in the NLO crystal
vanillin
J. Binoy, I. Hubert Joe and V. S. Jayakumar
Journal of Raman Spectroscopy, 36(2005)1091–1100.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1411/abstract
103. Vibrational spectra and density functional theoretical calculations on the antitumor drug,
plumbagin
D. Sajan, K. P. Laladhas, I. Hubert Joe and V. S. Jayakumar
Journal of Raman Spectroscopy, 36(2005) 1001–1011.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1398/abstract
104. 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 Physics Letters, 2 (2005) 544-550.
http://onlinelibrary.wiley.com/doi/10.1002/lapl.200510034/abstract
105. Vibrational spectral studies of methyl 3-(4-methoxyphenyl) prop-2-enoate, a new organic nonlinear optic crystal
D. Sajan, J. Binoy, I. Hubert Joe, V. S. Jayakumar and J Zaleski
Journal of Raman Spectroscopy, 36(2005) 221–236.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1279/abstract
106. 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, V. George, V. S. Jayakumar, J. Aubard and O.
Faurskov Nielsen
Journal of Raman Spectroscopy, 36(2005) 63–72.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1272/abstract
107. 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 Physics Letters, 2(2005) 343-350.
http://onlinelibrary.wiley.com/doi/10.1002/lapl.200410186/abstract
108. 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
Journal of Raman Spectroscopy, 35 (2004) 939–946.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1236/abstract
109. NIR-FT Raman and infrared spectra and ab initio computations of glycinium oxalate
D. Sajan, J. Binoy, B. Pradeep, K. Venkata Krishna, V.B. Kartha, I. Hubert Joe,
V.S. Jayakumar
Spectrochimica Acta Part A, 60 (2004) 173–180.
http://www.sciencedirect.com/science/article/pii/S1386142503001938
110. Bis (glycylglycinium) oxalate at 100 K
Krzysztof Ejsmont, Jacek Zaleski, I. H. Joe and Victor S. Jayakumar
Acta Crystallographica Section C, 59 (2003) 553-555.
http://scripts.iucr.org/cgi-bin/paper?ln1172
111. Vibrational spectroscopic studies on the natural product, columbianadin
Jose P. Abraham, I. Hubert Joe, V. George, O.F. Nielsen, V.S. Jayakumar
Spectrochimica Acta Part A, 59 (2003) 193-199.
http://www.sciencedirect.com/science/article/pii/S1386142502001488
112. Vibrational and SERS Spectra of Spermine Phosphate Hexahydrate
Antony Eapen, I. Hubert Joe, G. Aruldhas
Spectroscopy Letters: An International Journal for Rapid Communication, 30 (1997) 751770.
http://www.tandfonline.com/doi/abs/10.1080/00387019708006696
113. FTIR as a Tool to Study High-Temperature Phase Formation in Sol–Gel Aluminium Titanate
I. Hubert Joe, Asha K. Vasudevan, G. Aruldhas, A. D. Damodaran, and K. G. K. Warrier
Journal of Solid State Chemistry, 131(1997)181-184.
http://www.sciencedirect.com/science/article/pii/S0022459697973710
114. FT-IR, Raman and SERS spectra of Arcain sulfate
Antony Eapen, I. Hubert Joe and G.Aruldhas
Journal of Solid State Chemistry, 133 (1997) 423-429.
http://www.sciencedirect.com/science/article/pii/S0022459697974983
115. FT-IR and Polarized Raman Spectra of N(CH3)4H2PO4.H2O
I. Hubert Joe, V. S. Jayakumar and G. Aruldhas
Journal of Solid State Chemistry, 120(1995) 343-352.
http://www.sciencedirect.com/science/article/pii/S0022459685714181
116. FT-IR and Polariced Raman Spectra N2H5H2PO4
I. Hubert Joe, V.S. Jayakumar, G. Aruldhas
Acta Chimica Hungarica-Models in Chemistry,132(1995)747.
117. IR and single crystal Raman spectra of langbeinities M2 Ni2(SO4)3 (M = NH4, K)
V. S. Jayakumar, I. Hubert Joe; G. Aruldhas
Ferroelectrics, 165(1995) 307-318.
http://www.tandfonline.com/doi/abs/10.1080/00150199508228311
118. Vibrational spectra and phase transition in triglycine sulpho-phosphate
I. Hubert Joe, G. Aruldhas, S. Anbukumar and P. Ramasamy
Crystal Research and Technology, 29(1994)685–692.
http://onlinelibrary.wiley.com/doi/10.1002/crat.2170290520/abstract
119. Vibrational spectra of tris (methylammonium) cyclotriphosphate
Bini Lizbeth George, I. Hubert Joe and G. Aruldhas
Journal of Raman Spectroscopy, 23(1992) 417-419.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1250230708/abstract
120. Vibrational spectra of α-CaNa2P2O7 • 4H2O, CaNH4NaP2O7 • 3H2O and CdNH4NaP2O7• 3H2O
I. Hubert Joe, G. Aruldhas and Gabor Keresztury
Journal of Raman Spectroscopy, 22(1991) 537-539.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1250220913/abstract
121. Raman and IR spectra of β-alanine and sarcosine monophosphates
I. Hubert Joe, Daizy Philip, G. Aruldhas, I. L. Botto
Journal of Raman Spectroscopy, 22(1991) 423-425.
http://onlinelibrary.wiley.com/doi/10.1002/jrs.1250220712/abstract