Msc;M.Phil;Ph.D

25 years teaching experience at Mar Ivanios college

(1)Raman SERS and Raman imaging

(2)Quantum chemical computations using density functional theory methods for geometry optimization and vibrational spectral prediction of biomolecules

(3) Vibrational spectral studies of natural products molecules

(4)Nonlinear Optical materials characterization using Z-scan technique

(5) Optical fiber gratings

1. Chitrambalam S, Sunila Abraham, Rastogi V. K, I. Hubert Joe, Self-focusing behaviour of dichlorobis(sarcosinato)zinc(II) complex investigated by DFT computations, fluorescence, laser damaged threshold and Z-scan technique, Chemical Physics Letters, (2020) DOI information: 10.1016/j.cplett.2020.137648 (accepted)

2. Sagar B Yadav, Sohan Taware, Mavila C Sreenath, Subramaniyan Chitrambalam, I. Hubert Joe, Nagaiyan Sekar, Experimental and theoretical investigation of linear and nonlinear optical properties of ethyl‐3‐hydroxy‐2‐napthoate azo dyes by solvatochromic, computational aspects, and Z‐scan technique, Journal of Physical Organic Chemistry, 33 (2020) e4050.

3. J Priscilla, D Arul Dhas, I Hubert Joe, S Balachandran, Experimental and theoretical spectroscopic analysis, hydrogen bonding, reduced density gradient and antibacterial activity study on 2-Phenyl quinoline alkaloid, Chemical Physics, 536 (2020)110827.

4. VK Suma, D Aruldhas, I Hubert Joe, Nimmy L John, Structural analysis, NLO activity and Hirshfeld surfaces of DL-cysteinium semi oxalate crystal, Journal of Molecular Structure, 1216 (2020)128278

5. Reem I Al-Wabli, Alwah R Al-Ghamdi, Suchindra Amma Vijayakumar Aswathy, Hazem A Ghabbour, Mohamed H Al-Agamy, I. Hubert Joe, Mohamed I Attia, propylidene]-N-(2-chlorophenyl) hydrazine carboxamide: Synthesis, X-ray Structure, Hirshfeld Surface Analysis, DFT Calculations, Molecular Docking and Antifungal Profile, Pharmaceutical Crystals, 2020, pp-123.

6. C Bell, Cynitha Wise, D Aruldhas, S Balachandran, I Hubert Joe, VH Masand, Structural, spectroscopic and OH center dot center dot center dot O hydrogen bonding interaction on monomer and dimer form of hydroxy phenoxy acetic acid derivatives by experimental and computational techniques, Journal of Molecular Structure, 1204 (2020)

7. N Suma, D Aruldhas, I Hubert Joe, S Balachandran, A Ronaldo Anuf, Arun Sasi, Jesby George, Vibrational spectra, hydrogen bonding analysis and herbicidal activity study of mefenacet: A DFT approach, Journal of Molecular Structure, 1201 (2020) 127203

8. LS Anju, D Aruldhas, I Hubert Joe, Nimmy L John, Spectroscopic, quantum mechanical and docking studies on organochlorine insecticides by density functional theory, Journal of Molecular Structure, 1208 (2020) 127904.

9. C Cynitha Wise Bell, D Aruldhas, S Balachandran, I Hubert Joe, VH Vijay Masand, Structural, spectroscopic and O–H⋯ O hydrogen bonding interaction on monomer and dimer form of hydroxy phenoxy acetic acid derivatives by experimental and computational techniques, Journal of Molecular Structure, 1204 (2020) 127471.

10. Chaitannya W Ghanavatkar, Virendra R Mishra, Nagaiyan Sekar, Elizabeth Mathew, Sijo S Thomas, I. Hubert Joe, Benzothiazole pyrazole containing emissive azo dyes decorated with ESIPT core: Linear and non linear optical properties, Z scan, optical limiting, laser damage threshold with comparative DFT studies, Journal of Molecular Structure, 1203 (2020) 127401.

11. Liji John, R Selwin Joseyphus, I Hubert Joe, Biomedical application studies of Schiff base metal complexes containing pyridine moiety: molecular docking and a DFT approach, SN Applied Sciences, 2 (2020) 1-14.

12. Nitesh N Ayare, Chaitannya W Ghanavatkar, Mavila C Sreenath, Subramaniyan Chitrambalam, I. Hubert Joe, Nagaiyan Sekar, Z-scan and DFT approach for investigating the NLO properties of imidazole fused anthraquinone dyes, Journal of Photochemistry and Photobiology A: Chemistry, 390 (2020) 112327.

13. Chaitannya W Ghanavatkar, Virendra R Mishra, Suryapratap Sharma, Elizabeth Mathew, Subramaniyan Chitrambalam, I. Hubert Joe, Sekar Nagaiyan Nethi, Red Emitting Hydroxybenzazole (HBX) Based Azo Dyes: Linear and Non Linear Optical Properties, Optical Limiting, Z Scan Analysis with DFT Assessments, Journal of Fluorescence, 30 (2020) 335–346.

14. LS Anju, D Aruldhas, I Hubert Joe, S Balachandran, Density functional theory, spectroscopic and hydrogen bonding analysis of fenoxycarb–water complexes, Journal of Molecular Structure, 120 (2020) 127201.

15. N Suma, D Aruldhas, I Hubert Joe, A Ronaldo Anuf, BS Arun Sasi, Spectroscopic, quantum chemical, QTAIM analysis, molecular dynamics simulation, docking studies and solvent effect of pyridin-2-yl oxyacetic acid herbicide and its derivatives, Journal of Molecular Structure, 1206 (2020) 127677.

16. A Beta Daniel, D Aruldhas, Jeena John, S Balachandran, I Hubert Joe, Molecular structure, vibrational spectra and density functional theory of the spiro-conjugated anticancer active molecule rubrocurcumin, Spectroscopy Letters, 53 (2020) 12-31.

17. Suvidha S Shinde, Mavila C Sreenath, Subramaniyan Chitrambalam, I Hubert Joe, Nagaiyan Sekar, Spectroscopic, DFT and Z-scan approach to study linear and nonlinear optical properties of Disperse Red 277, Optical Materials, 99 (2020) 109536.

18. MC Sreenath, I Hubert Joe, VK Rastogi, Effect of solvents on the nonlinear optical behavior and spectral findings of bis [4-(dimethylamino) phenyl] methaniminium chloride, Chemical Physics Letters, 738 (2020) 136833.

19. Sagar B Yadav, Mavila C Sreenath, Subramaniyan Chitrambalam, I. Hubert Joe, Nagaiyan Sekar, NLO Properties of 2‐Napthol Monoazo Disperse Dyes by DFT and Z‐Scan Technique–A Detailed Study, ChemistrySelect, 4 (2019), 13846-13855

20. Suvidha S Shinde, Mavila C Sreenath, Subramaniyan Chitrambalam, I Hubert Joe, Nagaiyan Sekar, Non-Linear Optical Properties of Disperse Blue 354 and Disperse Blue183 by DFT and Z-Scan Technique, Polycyclic Aromatic Compounds, (2019) 1-18

21. Sagar B Yadav, Yogesh Erande, Mavila C Sreenath, Subramaniyan Chitrambalam, I. Hubert Joe, Nagaiyan Sekar, Pyrene Based NLOphoric D‐π‐A‐π‐D Coumarin‐Chalcone and Their Red Emitting OBO Difluoride Complex: Synthesis, Solvatochromism, Z‐scan, and Detailed TD‐DFT Studies, Chemistry Select, 4 (2019) 10385-10400.

22. Nitesh N Ayare, Mavila C Sreenath, Subramaniyan Chitrambalam, I. Hubert Joe, Nagaiyan Sekar, NLO characteristics of D-π-A coumarin-thiophene bridged azo dyes by Z-scan and DFT methods, Molecular Physics, (2019) 1-12

23. Liji John, R Selwin Joseyphus, I Hubert Joe, Synthesis, spectral characterization, DFT, and molecular docking studies of metal (II) complexes derived from thiophene-2-carboxaldehyde and 2-amino-6-picoline, Journal of Coordination Chemistry, 72 (2019) 2669-2687.

24. Manish M Raikwar, Elizabeth Mathew, Manu Varghese, I. Hubert Joe, Sekar Nagaiyan Nethi, NLOphoric Triphenylamine Derived Donor‐π‐Acceptor‐π‐Donor Based Colorants: Synthesis, Spectroscopic, Density Functional Theory and Z‐scan Studies, Photochemistry and photobiology, 95 (2019) 931-945.

25. Liji John, Dasan Arish, R Selwin Joseyphus, I Hubert Joe, Molecular docking, structural characterization, DFT and cytotoxicity studies of metal (II) Schiff base complexes derived from thiophene-2-carboxaldehyde and l-histidine, Journal of Molecular Structure, 1198, (2019) 126934

26. Elizabeth Mathew, Vinutha V Salian, I Hubert Joe, B Narayana, Third-order nonlinear optical studies of two novel chalcone derivatives using Z-scan technique and DFT method, Optics & Laser Technology, 120 (2019) 105697

27. GP Sheeja Mol, D Aruldhas, I Hubert Joe, S Balachandran, A Ronaldo Anuf, Jesby George, Structural activity (monomer and dimer), spectroscopic analysis, chemical reactivity, fungicidal activity and molecular dynamics simulation of phenyl benzamide fungicides: A combined experimental and theoretical approach, Journal of Molecular Structure, 1193 (2019) 24-44

28. L Anitha, SR Saritha, SR Layana, CS Nair Lakshmi, I Hubert Joe, MR Sudarsanakumar, Structural studies of 3-[(E)-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene] amino]-1-phenylthiourea: Combined experimental and computational studies, Journal of Molecular Structure, 1191 (2019) 206-217

29. VK Suma, D Arul Dhas, DP Lydia Renj, S Balachandran, I Hubert Joe, S Chitrambalam, Spectroscopic investigation and non linear optical activity study on 7, 7, 8, 8-tetra cyano quino dimethane, Chemical Data Collections, 21 (2019) 100220

30. Manish M Raikwar, Kiran C Avhad, Manu Varghese, Elizabeth Mathew, I. Hubert Joe, Nagaiyan Sekar, D-π-A-π-D coumarin hybrids derived from arylamine donors: DFT and Z-scan studies, Optical Materials, 92 (2019) 100-110

31. Ramnath R Mallah, Dhanraj R Mohbiya, Mavila C Sreenath, Subramaniyan Chitrambalam, I. Hubert Joe, Nagaiyan Sekar, NLOphoric benzyl substituted BODIPY and BOPHY: A comprehensive linear and nonlinear optical study by spectroscopic, DFT and Z-scan measurement, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 215 (2019) 122-129

32. SR Saritha, L Anitha, SR Layana, MR Sudarsanakumar, I Hubert Joe, D Manimaran, VL Siji, Spectral, structural and theoretical studies of α‒methyl trans cinnamaldehyde semicarbazone, Journal of Molecular Structure, 1182 (2019) 329-339.

33. Nitesh N Ayare, Manali Rajeshirke, Mavila C Sreenath, Subramaniyan Chitrambalam, I. Hubert Joe, Nagaiyan Sekar, NLO‐Phoric Emissive Quinoxaline Analog of Quinoline Yellow 54 and Z‐Scan Studies, ChemistrySelect, 4 (2019), 3752-3761.

34. GP Sheeja Mol, D Aruldhas, I Hubert Joe, S Balachandran, A Ronaldo Anuf, Jesby George, Anuroopa G Nadh, Structural activity, fungicidal activity and molecular dynamics simulation of certain triphenyl methyl imidazole derivatives by experimental and computational spectroscopic techniques, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 212, (2019) 105-120.

35. Manish M Raikwar, Dinesh S Patil, Elizabeth Mathew, Manu Varghese, I. Hubert Joe, Nagaiyan Sekar, Influence of thiophene spacer and auxiliary acceptor on the optical properties of 4-(Diethylamino)-2-hydroxybenzaldehyde based D-π-A-π-D Colorants with N-alkyl donors: Experimental, DFT and Z-scan study, Journal of Photochemistry and Photobiology A: Chemistry, 373, (2019) 45-58.

36. MC Sreenath, I Hubert Joe, VK Rastogi, Reverse saturable absorption behavior of Disodium 8-Hydroxy-5, 7-Dinitro-2-Naphthalenesulfonate Hydrate for nonlinear optical applications, Journal of Molecular Structure, 1180, (2019) 363-377.

37. Maha S Almutairi, DR Leenaraj, Hazem A Ghabbour, I Hubert Joe, Mohamed I Attia, Spectroscopic identification, structural features, Hirshfeld surface analysis and molecular docking studies on stiripentol: An orphan antiepileptic drug, Journal of Molecular Structure, 1180, (2019) 110-118.

38. Dhanraj R Mohbiya, Ramnath R Mallah, Mavila C Sreenath, Subramaniyan Chitrambalam, I. Hubert Joe, Nagaiyan Sekar, Influence of acceptors in NLOphoric aacenaphthene and morpholine-thiourea hybrid dyes: Photophysical, viscosity, DFT and Z-Scan study, Optical Materials, 89, (2019) 178-190.

39. Ramnath R Mallah, Dhanraj R Mohbiya, Mavila C Sreenath, Subramaniyan Chitrambalam, I. Hubert Joe, Nagaiyan Sekar, Non-linear optical response of meso substituted dipyrromethene boron difluoride dyes: Synthesis, photophysical, DFT and Z scan study, Optical Materials, 89, (2019) 164-172.

40. Ramnath R Mallah, Dhanraj R Mohbiya, Mavila C Sreenath, Subramaniyan Chitrambalam, I Hubert Joe, Nagaiyan Sekar, NLOphoric benzyl substituted BODIPY and BOPHY: A comprehensive linear and nonlinear optical study by spectroscopic, DFT and Z-scan measurement, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 215, (2019), 122-129.

41. Ramnath R Mallah, Dhanraj R Mohbiya, Mavila C Sreenath, Subramaniyan Chitrambalam, I Hubert Joe, Nagaiyan Sekar, Non-linear optical response of meso hybrid BODIPY: Synthesis, photophysical, DFT and Z scan study, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 209, (2019) 126-140.

42. Manish M Raikwar, Elizabeth Mathew, Manu Varghese, I Hubert Joe, Sekar Nagaiyan, NLOphoric Triphenylamine Derived Donor‐π‐Acceptor‐π‐Donor Based Colorants: Synthesis, Spectroscopic, Density Functional Theory and Z‐scan Studies, Photochemistry and photobiology, https://doi.org/10.1111/php.13089, (2019).

43. GP Sheeja Mol, D Aruldhas, I Hubert Joe, S Balachandran, A Ronaldo Anuf, Jesby George, Spectroscopic investigation, fungicidal activity and molecular dynamics simulation on benzimidazol-2-yl carbamate derivatives, Journal of Molecular Structure, 1176, (2019) 226-237.

44. SR Saritha, L Anitha, SR Layana, MR Sudarsanakumar, I Hubert Joe, D Manimaran, VL Siji, Spectral, structural, and theoretical studies of α‒methyl trans cinnamaldehyde semicarbazone, Journal of Molecular Structure, 1182 ( 2019) 329-339.

45. Kiran C Avhad, Dinesh S Patil, Subramaniyan Chitrambalam, Mavila C Sreenath, I Hubert Joe, Nagaiya(n Sekar, Extensive Study of Rhodanine‐Arylamine‐Based Chromophores: Consolidated Optical, DFT/TD‐DFT and Non‐Linear Optical Properties, ChemistrySelect, 4 (2019), 211-221

46. Ramnath R. Mallah, Dhanraj R. Mohbiya, M. C. Sreenath, S. Chitrambalam, I. Hubert Joe , Nagaiyan Sekar, Non-linear optical response of meso hybrid BODIPY: Synthesis, photophysical, DFT and Z scan study, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 209 (2019) 126–140.

47. G.P. SheejaMol, D.Aruldhas, I. HubertJoe, S.Balachandran, Experimental and theoretical spectroscopic analysis, chemical reactivity and fungicidal activity study on benalaxyl along with quantum chemical computation on metalaxyl and furalaxyl, Chemical Data Collections, 17–18, (2018), 370-393.

48. GPS Mol, D Aruldhas, I. Hubert Joe, S Balachandran, AR Anuf, J George, Spectroscopic investigation, fungicidal activity and molecular dynamics simulation on benzimidazol-2-yl carbamate derivatives, Journal of Molecular Structure, 1176 (2018) 226-237

49. MC Sreenath, I. Hubert Joe, VK Rastogi, Third-order optical nonlinearities of 1, 5-Diaminoanthraquinone for optical limiting application, Optics & Laser Technology 108 (2018) 218-234

50. RR Mallah, DR Mohbiya, MC Sreenath, S Chitrambalam, I. Hubert Joe, N Sekar, Fluorescent meso-benzyl curcuminoid boron complex: Synthesis, photophysics, DFT and NLO study, Optical Materials 84 (2018) 786-794

51. R Mallah, MC Sreenath, S Chitrambalam, I. Hubert Joe, N Sekar, Excitation energy transfer processes in BODIPY based donor-acceptor system-Synthesis, photophysics, NLO and DFT study, Optical Materials, 84 (2018)795-806

52. IU Hassan, L John, RS Joseyphus, I. Hubert Joe, RS Amritha, GA Naikoo, Synthesis, Structural Characterization and Morphological Studies of Nanocrystalline CdO by Wet-Chemical Method, Advanced Science Letters, 24 (2018), 5519-5522

53. Meera J Nath, SDD Roy, I. Hubert Joe, Synthesis and electronic structure studies of a novel nonlinear optical crystal L-leucinium squarate monohydrate: A spectroscopic view, Journal of Physics and Chemistry of Solids, 122 (2018) 143-153

54. Manali Rajeshirke, Mavila C Sreenath, Subramaniyan Chitrambalam, I Hubert Joe, Nagaiyan Sekar, Enhancement of NLO Properties in OBO Fluorophores Derived From Carbazole-Coumarin Chalcones Containing Carboxylic Acid at the N-Alky Terminal End, The Journal of Physical Chemistry C, 10.1021/acs.jpcc.8b02937, 2018.

55. MC Sreenath, I Hubert Joe, VK Rastogi, Experimental and theoretical investigation of third-order nonlinear optical properties of azo dye 1-(2, 5-Dimethoxy-phenylazo)-naphthalen-2-ol by Z-scan technique and quantum chemical computations, Dyes and Pigments, 157 (2018), 163-178.

56. Reem I Al-Wabli, Alwah R Al-Ghamdi, IP Primsa, Hazem A Ghabbour, Mohamed H Al-Agamy, I Hubert Joe, Mohamed I Attia, (2E)-2-[1-(1, 3-Benzodioxol-5-yl)-3-(1H-imidazol-1-yl) propylidene]-N-(4-methoxyphenyl) hydrazinecarboxamide: Synthesis, crystal structure, vibrational analysis, DFT computations, molecular docking and antifungal activity, Journal of Molecular Structure, 1166 (2018), 121-130.

57. Lakshmi CS Nair, S Balachandran, D Arul Dhas, I Hubert Joe, In-silico analysis of substituent effect on the static first order hyperpolarizability of electron donating mono substituted Chalcone derivatives, Journal of molecular modeling, 24 (2018), 126.

58. Kiran C Avhad, Dinesh S Patil, S Chitrambalam, MC Sreenath, I Hubert Joe, Nagaiyan Sekar, Viscosity induced emission of red-emitting NLOphoric coumarin morpholine-thiazole hybrid styryl dyes as FMRs: Consolidated experimental and theoretical approach, Optical Materials, 79 (2018) 90-107.

59. DR Leenaraj, I Hubert Joe, Influence of stereoelectronic effects on the non-opioid analgesics gaboxadol and gaboxadol hydrochloride: Spectral and DFT study, Journal of Physics and Chemistry of Solids, 116 (2018), 194-202.

60. Kiran C Avhad, Dinesh S Patil, Yogesh K Gawale, Subramaniyan Chitrambalam, Mavila C Sreenath, I. Hubert Joe, Nagaiyan Sekar, Large Stokes Shifted Far‐Red to NIR‐Emitting D‐π‐A Coumarins: Combined Synthesis, Experimental, and Computational Investigation of Spectroscopic and Non‐Linear Optical Properties, ChemistrySelect, 3 (2018), 4393-4405.

61. Maha S Almutairi, Azza S Zakaria, Reem I Al-Wabli, I Hubert Joe, Ali S Abdelhameed, Mohamed I Attia, Synthesis, Spectroscopic Identification and Molecular Docking of Certain N-(2-{[2-(1H-Indol-2-ylcarbonyl) hydrazinyl](oxo) acetyl} phenyl) acetamides and N-[2-(2-{[2-(Acetylamino) phenyl](oxo) acetyl} hydrazinyl)-2-oxoethyl]-1H-indole-2-carboxamides: New Antimicrobial Agents, Molecules, 23 (2018), 1043.

62. C Sabitha, I. Hubert Joe, KDA Kumar, S Valanarasu, Investigation of structural, optical and electrical properties of ZnS thin films prepared by nebulized spray pyrolysis for solar cell applications, Optical and Quantum Electronics, 50 (2018), 153.

63. C Sabitha, K Deva Arun kumar, S Valanarasu, A Saranya, I Hubert Joe, “Cu:ZnS and Al:ZnS thin films prepared on FTO substrate by nebulized spray pyrolysis technique”, Journal of Materials Science: Materials in Electronics, 29 (2018), 4612-4623.

64. Y Erande, S Kothavale, MC Sreenath, S Chitrambalam, I Hubert Joe, N Sekar, “Triphenylamine Derived 3-Acetyl and 3-Benzothiazolyl Bis and Tris Coumarins: Synthesis, Photophysical and DFT Assisted Hyperpolarizability Study”, Journal of Electronic Materials, 47 (2018). 1431.

65. MS Almutairi, AS Zakaria, P Primsa Ignasius, RI Al-Wabli, I Hubert Joe, MI Attia, “Synthesis, spectroscopic investigations, DFT studies, molecular docking and antimicrobial potential of certain new indole-isatin molecular hybrids: Experimental and theoretical approaches”, Journal of Molecular Structure, 1153 (2018) 333–345.

66. S Chitrambalam, D Manimaran, I Hubert Joe, VK Rastogi, Israr Ul Hassan, "Synthesis, Hirshfeld surface analysis, laser damage threshold, third-order nonlinear optical property and DFT computation studies of Dichlorobis(DL-valine)zinc(II): A spectroscopic approach", Optical Materials, 75 (2018) 285–296.

67. Y Erande, S Kothavale, MC Sreenath, S Chitrambalam, I Hubert Joe, N. Sekar, "Triphenylamine derived coumarin chalcones and their red emitting OBO difluoride complexes: Synthesis, photophysical and NLO property study", Dyes and Pigments, 148 (2018) 474–491.

68. RI Al-Wabli, A Salman, V Shyni, HA Ghabbour, I Hubert Joe, MS Almutairi, YA Maklad, MI Attia, “Synthesis, crystal structure, vibrational profiling, DFT studies and molecular docking of N-(4-chloro-2-{[2-(1H-indol-2-ylcarbonyl)hydrazinyl](oxo)acetyl}phenyl)acetamide.DMSO: A new antiproliferative agent”, Journal of Molecular Structure, 1155 (2018) 457–468.

69. S Veena Gopal, S Chitrambalam, I Hubert Joe, “Coherent source interaction, third-order nonlinear response of synthesized PEG coated magnetite nanoparticles in polyethylene glycol and its application”, Optics & Laser Technology, 98 (2018) 84–91.

70. MC Sreenath, S Mathew, I Hubert Joe, VK Rastogi, “Z-scan measurements of the third-order optical nonlinearities and vibrational spectral studies by DFT computations on azo dye 1-(2-Methylphenylazo)-2-napthol”,Optics & Laser Technology, 97 (2017) 390–399.

71. Y Erande, S Kothavale, MC Sreenath, S Chitrambalam, I Hubert Joe, N Sekar, “NLOphoric multichromophoric auxiliary methoxy aided triphenylamine D–π–A chromophores–Spectroscopic and computational studies”, Optical Materials, 79 (2017) 602–616.

72. Bismi Edwin, M Amalanathan, Ridhima Chadha, Nandita Maiti, Sudhir Kapoor, I Hubert Joe, “Structure activity relationship, vibrational spectral investigation and molecular docking analysis of anti-neuronal drug 4-(2-Aminoethyl)morpholine”, Journal of Molecular Structure, 1148 (2017) 459–470.

73. LS Athira, CS Nair Lakshmi, S Balachandran, D Arul Dhas, I Hubert Joe, “Synthesis, characterization, crystal structure and theoretical studies of 4-[(E)-(3-chloro-4-hydroxyphenyl) diazenyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one”, Journal of Molecular Structure, 1148 (2017) 185–195.

74. Prashant Mande, M Elizabeth S Chitrambalam, I Hubert Joe, N Sekar, “NLO properties of 1,4-naphthoquinone, Juglone and Lawsone by DFT and Z-scan technique–A detailed study”, Optical Materials, 72 (2017) 549–558.

75. Y Erande, S Kothavale, MC Sreenath, S Chitrambalam, I Hubert Joe, Na Sekar, “Triphenylamine derived coumarin chalcones and their red emitting OBO difluoride complexes: Synthesis, photophysical and NLO property study”, Dyes and Pigments, 148 (2018) 474–491.

76. DR Leenaraj, I Hubert Joe, “Non-opioid analgesic drug flupirtine: Spectral analysis, DFT computations, in vitro bioactivity and molecular docking study”, Chemical Physics Letters, 677 (2017) 41–49.

77. S Veena Gopal, I Hubert Joe, “Bio-activity of superparamagnetic maghemite nanorods capped with DL–alanine”, Journal of Molecular Liquids, 234 (2017) 382–390.

78. Y Erande, MC Sreenath, S Chitrambalam, I Hubert Joe, N Sekar, “Spectroscopic, DFT and Z-scan supported investigation of dicyanoisophorone based push–pull NLOphoric styryl dyes”, Optical Materials, 66 (2017) 494–511.

79. SS Thakare, MC Sreenath, S Chitrambalam, I Hubert Joe, N Sekar, “Non-linear optical study of BODIPY-benzimidazole conjugate by solvatochromic, Z–scan and theoretical methods”, Optical Materials, 64 (2017) 453–460.

80. DR Leenaraj, D Manimaran, I Hubert Joe, “Molecular docking and structural analysis of non-opioid analgesic drug acemetacin with halogen substitution: A DFT approach”, Journal of Molecular Structure, 1123 (2016) 180–190.

81. NG Haress, D Manimaran, I Hubert Joe, AA EL-Azzouny, RI Al-Wabli, MI Attia, “Vibrational and electronic profiles, molecular docking and biological prediction of 5-methoxy-1-[(5-methoxy-1H-indol-2-yl) methyl]-1H-indole: Experimental and theoretical investigations”, Journal of Theoretical and Computational Chemistry, 15 (2016) 1650046.

82. GP Sheeja Mol, D Arul Dhas, I Hubert Joe, S Balachandran, “Normal coordinate analysis and fungicidal activity study on anilazine and its related compound using spectroscopic techniques”, Chemical Physics Letters, 654 (2016) 125–134.

83. RI Al-Wabli, D Manimaran, Liji John, I Hubert Joe, NG Haress, MI Attia, “Spectroscopic Investigations, DFT Calculations, and Molecular Docking Studies of the Anticonvulsant (2E)-2-[3-(1H-Imidazol-1-yl)-1-phenylpropylidene]-N-(4-methylphenyl) hydrazinecarboxamide”, Journal of Spectroscopy, 2016 (2016) 8520757.

84. T Joselin Beaula, P Muthuraja, M Dhandapani, I Hubert Joe, VK Rastogi, V Bena Jothy, “Biological applications and spectroscopic investigations of 4-nitrophenol-urea dimer: A DFT approach”, Chemical Physics Letters, 645 (2016) 59–70.

85. MS Almutairi, D Manimaran, I Hubert Joe, OA Saleh, MI Attia, “Structural Properties and Biological Prediction of ({[(1E)-3-(1H-Imidazol-1-yl)-1-phenylpropylidene]amino}oxy)(4-methylphenyl) methanone: An In Silico Approach”, Symmetry, 8 (2015) 8010001.

86. TS Xavier, Peter TM Kenny, D Manimaran, I Hubert Joe, “FT-IR and Raman spectroscopic and DFT studies of anti-cancer active molecule N-{(meta-ferrocenyl)Benzoyl}-l-Alanine-Glycine ethyl ester”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 145 (2015) 523–530.

87. T Joselin Beaula, I Hubert Joe, VK Rastogi, V Bena Jothy, “Spectral Investigations, DFT Computations and molecular docking studies of the antimicrobial 5-Nitroisatin dimer”, Chemical Physics Letters, 624 (2015) 93–101.

88. Anitha S Nair, VP Sudeep Kumar, IHubert Joe, “Widely tunable LP11 Cladding Mode Resonance in a Twisted Mechanically Induced Long Period Fiber Grating”, Applied Optics, 54 (2015) 2007–2010.

89. G Edwin Sheela, D Manimaran, I Hubert Joe, Sherifa Rahim, V Bena Jothy, “Structure and nonlinear optical property analysis of l-Methioninium Oxalate: A DFT approach”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 143 (2015) 40–48.

90. Anitha S Nair, VP Sudeep Kumar, I Hubert Joe, “Twist sensitivity of Cladding Mode Resonances and its cross sensitivity to strain and temperature in a Mechanically Induced Long Period Fiber Grating”, Fiber and Integrated Optics, 33 (2014) 347–359.

91. T Joselin Beaula, A Packiavathi, D Manimaran, I Hubert Joe, V.K. Rastogi, V. Bena Jothy, “Quantum Chemical Computations, Vibrational Spectroscopic Analysis and Antimicrobial studies of 2, 3-Pyrazinedicarboxylic Acid”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 138 (2015) 723–735.

92. M Alcolea Palafox, Daisy Bhat, Yasha Goyal, Shabbir Ahmad, I Hubert Joe, VK Rastogi, “FT-IR and FT-Raman spectra, MEP and HOMO–LUMO of 2,5-dichlorobenzonitrile: DFT study”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 136 (2015) 464–472.

93. D Arul Dhas, I Hubert Joe, SDD Roy, S Balachandran, “Spectroscopic analysis and charge transfer interaction studies of 4-benzyloxy-2-nitroaniline insecticide: A density functional theoretical approach”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 135 (2015) 583–596.

94. DM Suresh, M Amalanathan, I Hubert Joe, V Bena Jothy, Y-P Diao, “Studies on molecular structure, vibrational spectra and molecular Docking analysis of 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 130 (2014) 591–603.

95. T Joselin Beaula, D Manimaran, I Hubert Joe, VK Rastogi, V Bena Jothy, “Vibrational Spectroscopic Studies and DFT Computation of the nonlinear optical molecule L-Valinium Formate”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 126 (2014) 170–177.

96. Y Erdogdu, M Guzel, MT Güllüolu, M Amalanathan, S Saglam, I Hubert Joe, “Molecular Structure, Vibrational Spectral Investigation and the Confirmation Analysis of 4–Methylesculetin Molecule”, Optics and Spectroscopy, 116 (2014) 348–359.

97. D Kattan, M Alcolea Palafox, S Kumar, D Manimaran, IHubert Joe, V.K. Rastogi, “FT-IR, FT-Raman spectra and other molecular properties of 2,4- dichlorobenzonitrile: A Interpretation by a DFT study”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 213 (2014) 89–97.

98. M Aja, M Jaya, K Vijayakumar Nair, I Hubert Joe, “FT-IR Spectroscopy as a sentinel technology in earthworm toxicology”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 120 (2014) 534–541.

99. M Amalanathan, TS Xavier, I Hubert Joe, VK Rastogi, “Normal coordinate analysis and Nonlinear Optical Response of cross-conjugated system 4,4-Dimethyl Benzophenone”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 116 (2013) 574–583.

100. M Alcolea Palafox, V Bena Jothy, Surabhi Singhal, I Hubert Joe, Satendra kumar, VK Rastogi, “FT-IR, FT-Raman spectra and other molecular properties of 3,5-dichlorobenzonitrile: A DFT study”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 116 (2013) 509–517.

101. Saji Kuriakose, I Hubert Joe, “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.

102. DM Suresh, M Amalanathan, S Sebastian, D Sajan, I Hubert Joe, V Bena Jothy, I. Nemec, “Vibrational Spectral Investigation and natural bond orbital analysis of Pharmaceutical compound 7-Amino-2,4-dimethylquinolinium formate-DFT approach”, Spectrochimica Acta Part A, 115 (2013) 595–602.

103. Bismi Edwin, I Hubert Joe, “FT-Raman, FT-IR and UV-visible spectral investigations and ab initio computations of anti-epileptic drug: Vigabatrin”, Spectrochimica Acta A, 114 (2013) 633–641

104. TS Xavier, I Hubert Joe, MA Palafox, Satendra Kumar, VK Rastogi, “Vibrational spectral investigations and density functional theory study of 4-Formylbenzoic acid”, Spectrochimica Acta A, 114 (2013) 502–508.

105. M Alcolea Palafox, V.K. Rastogi, Satendra Kumar, Hubert Joe, “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”, Spectrochimica Acta A, 111 (2013) 104–122.

106. DM Suresh, D Sajan, Y.-P Diao, I Nemec, I Hubert Joe, V Bena Jothy, “Structural conformations and density functional study on the intramolecular charge transfer based on vibrational spectra of 2,4-dihydroxy-N’-(4-methoxybenzylidene)benzohydrazide”, Spectrochimica Acta A, 110 (2013) 157–168.

107. Y Erdogdu, D Manimaran, MT Güllüoǧlu, M Amalanathan, I Hubert Joe, S Yurdakul , “FT-IR, FT-Raman, NMR spectra and DFT simulations of 4-(4-fluoro-phenyl)-1H-imidazole”, Optics and Spectroscopy 114 (2013) 525–536.

108. M Amalanathan, I Hubert Joe, VK Rastogi, “Molecular structure and vibrational spectral investigation of charge transfer NLO crystal Naphthalene Picrate for THz application”, Spectrochimica Acta A, 108 (2013) 256–267.

109. S Ortiz, M Alcolea Palafox, VK Rastogi, T Akitsu, I Hubert Joe, Satendra Kumar, “Simulation of a tetramer form of 5-chlorouracil: The vibrational spectra and molecular structure in the isolated and in the solidstate by using DFT calculations”, Spectrochimica Acta A, 110 (2013) 404–418.

110. D Manimaran, C Jesintha John, VK Rastogi, I Hubert Joe, “Growth and vibrational spectral investigation of nonlinear optical crystal L-Argininum Perchlorate-DFT study”, Spectrochimica Acta A, 109 (2013) 173–178.

111. D Arul Dhas, I Hubert Joe, SDD Roy, S Balachandran, “DFT computation and experimental analysis of vibrational and electronic spectra of phenoxy acetic acid herbicides”, Spectrochimica Acta A, 108 (2013) 89–99.

112. Bismi Edwin, I Hubert Joe, “Vibrational spectral analysis of anti-neuro-degenerative drug Levodopa: a DFT study”, Journal of Molecular structure, 1034 (2013) 119–127.

113. Bismi Edwin, I Hubert Joe, “Vibrational spectra and density functional theoretical calculations on the anti-neurodegenerative drug: Orphenadrine hydrochloride”, Spectrochimica Acta Part A: MBS 97 (2012) 838–846.

114. Bismi Edwin, M Amalanathan, I Hubert Joe, “Vibrational spectra and natural bond orbital analysis of organic crystal L-prolinium picrate”, Spectrochimica Acta A, 96 (2012) 10–17.

115. Saji Kuriakose, I Hubert Joe, “Qualitative and quantitative analysis in sandalwood oils using near infrared spectroscopy combined with chemometric techniques”, Food Chemistry, 135 (2012) 213–218.

116. DM Suresh, M Amalanathan, S Sebastian, D Sajan, I Hubert Joe, V Bena Jothy, “Vibrational spectral investigation and Natural Bond Orbital analysis of anti-rheumatoid drug Ethyl 4-nitrophenylacetate-DFT approach”, Spectrochimica Acta A, 98 (2012) 413–422.

117. M Amalanathan, I Hubert Joe,VK Rastogi, “Density functional theory studies on Molecular structure and Vibrational spectra of NLO crystal L-Phenylalanine phenylalanium nitrate for THz application”, Journal of Molecular Structure, 1006 (2011) 513–526.

118. TS Xavier, I Hubert Joe, “The effect of electron charge transfer in biological activity and vibrational wavenumbers of 2'-Deoxyuridine and 5-Fluoro-2'-Deoxyuridine: DFT approach”, Solid State Sciences, 13 (2011) 1906–1915.

119. D Arul Dhas, I Hubert Joe, SDD Roy, S Balachandran, “Spectroscopic investigation and hydrogen-bonding analysis of triazinones”, Journal of Molecular Modelling 18 (2012) 3587–3608.

120. C Jesintha John, TS Xavier, G Lukose, I Hubert Joe, “Electronic Absorption and Vibrational Spectra and Nonlinear Optical Properties of L-Valinium Succinate”, Spectrochimica Acta Part A: MBS, 85 (2012) 66–73.

121. C Jesintha John, TS Xavier, M Amalanathan, I Hubert Joe and VK Rastogi, “Analysis of Vibrational Spectra and Nonlinear Optical Properties of Organic Molecule L-Alaninium Formate”, Spectrochimica Acta part A, 86 (2012) 174–180.

122. D. D Sajan, Y Erdogdu, R Reshmy, Ö Dereli, K Kurien Thomas, I Hubert Joe, “DFT-based molecular modeling, NBO analysis and vibrational spectroscopic study of 3-(Bromoacetyl)coumarin”, Spectrochimica Acta Part A, 82 (2011) 118–125.

123. D Sajan, N Vijayan, K Safakath, Reji Philip, I Hubert Joe, “Intramolecular Charge Transfer in the Semi Organic NLO Material Sodium Acid Phthalate Hemihydrate: Vibrational Spectroscopy and Z-Scan Study”, Journal of Physical Chemistry A, 115 (2011) 8216–8226.

124. C Jesintha John, M Amalanathan, AR Twinkle, P Srinivasan, I Hubert Joe, “Vibrational spectra and first order hyperpolarizability studies of Dimethyl amino pyridinium 4-nitrophenolate 4-nitrophenol”,Spectrochimica Acta Part A, 81 (2011) 151–161.

125. D Arul Dhas, I Hubert Joe, SDD Roy, S Balachandran, “Nonplanar property study of antifungal agent tolnaftate-spectroscopic approach”, Spectrochimica Acta Part A, 79 (2011) 993–1003.

126. TS Xavier, I Hubert Joe, “FT-IR, Raman and DFT study of 2-amino-5-fluorobenzoic acid and its biological activity with other halogen (Cl, Br) substitution”, Spectrochimica Acta Part A, 79 (2011) 332–337.

127. M Amalanathan, VK Rastogi, I Hubert Joe, M. A. Palafox, Rashmi Tomar, “Density functional theory calculations and vibrational spectral analysis of 3,5-(dinitro benzoic acid)”, Spectrochimica Acta Part A, 78 (2011) 1437–1444.

128. TS Xavier, Naghmana Rashid, I Hubert Joe, “Vibrational spectra and DFT study of anticancer active molecule 2-(4-Bromophenyl)-1H-benzimidazole by normal coordinate analysis”,Spectrochimica Acta Part A, 78 (2011) 319–326.

129. C Jesintha John, M Amalanathan, D Sajan, K Udaya Lakshmi, I Hubert Joe, “Intramolecular charge delocalization and nonlinear optical properties of push-pull chromophore 1-(4-N,N-dimethylaminopyridinium) acetic acid bromide monohydrate from vibrational spectra”,Spectrochimica Acta Part A, 78 (2011) 264–272.

130. D Sajan, K Udaya Lakshmi, Y Erdogdu, I Hubert Joe, “Molecular structure and vibrational spectra of 2,6-bis(benzylidene)cyclohexanone: A density functional theoretical study”,Spectrochimica Acta Part A, 78 (2011) 113–121.

131. M Meena Kumari, Indu Ramachandra Pillai, C Ravikumar, I Hubert Joe, I Nemec, “Charge transfer interaction and nonlinear optical properties of barium chloride and thiourea complexes: a vibrational spectroscopic study”, Journal of Raman Spectroscopy, 42 (2011) 1462–1469.

132. C Ravikumar, Miss Pillai Indu Ramachandra, I Hubert Joe, “Electronic and structural effects on the nonlinear optical behavior in π-conjugated Structure bis (4-nitrophenyl) carbonate: a vibrational spectroscopic approach”, Journal of Raman Spectroscopy, 42 (2011)1193–1201.

133. C Ravikumar, I Hubert Joe, “Structural and nonlinear optical properties of cross-conjugated system benzophenone thiosemicarbazone: a vibrational spectroscopic study”,Journal of Raman Spectroscopy, 42 (2011) 815–824.

134. D Sajan, Thomas Kuruvilla, K P Laladhas and I Hubert Joe, “Surface-Enhanced Raman scattering and DFT theoretical studies on the absorption behaviour of Plumbagin on silver nanoparticles”,Indian Journal of Physics, 85 (2011) 477–484.

135. S Vidya, C Ravikumar, I Hubert Joe, P Kumaradhas, B Devipriya, K Raju, “Vibrational spectra and structural studies of nonlinear optical crystal ammonium D, L-tartrate: a density functional theoretical approach”, Journal of Raman Spectroscopy, 42 (2011) 676–684.

136. M Amalanathan, I Hubert Joe, VK Rastogi, “Molecular structure, vibrational spectra and nonlinear optical properties of L-Valine Hydrobromide: DFT study”, Journal of Molecular Structure, 985 (2011) 48–56.

137. C Ravikumar, I Hubert Joe, “Electronic absorption and vibrational spectra and nonlinear optical properties of 4-methoxy-2-nitroaniline”, Physical Chemistry Chemical Physics, 12 (2010) 9452–9460.

138. Saji Kuriakose, TS Xavier, I Hubert Joe, V Venkataraman, “Detection and quantification of adulteration in sandalwood oil through near infrared spectroscopy”, Analyst, 135 (2010) 2676–2681.

139. M Amalanathan, I Hubert Joe,Irena Kostova, “Density functional theory calculation and vibrational spectral analysis of 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one”, Journal of Raman Spectroscopy, 41(2010)1076–1084.

140. M Amalanathan, I Hubert Joe, SS Prabhu, “Charge Transfer Interaction and Terahertz Studies of a Nonlinear Optical Material L-Glutamine Picrate: A DFT Study”, Journal of Physical Chemistry A, 114 (2010) 13055–13064.

141. Irena Kostova, M Amalanathan, I Hubert Joe, “Molecular first order hyperpolarizability and vibrational spectral investigation of Warfarin sodium”, Chemical Physics, 378 (2010) 88–102.

142. C Ravikumar, I Hubert Joe, D Sajan, “Vibrational contributions to the second-order nonlinear optical properties of p-conjugated structure acetoacetanilide”, Chemical Physics, 369 (2010) 1–7.

143. D Sajan, V Bena Jothy, Thomas Kuruvilla, I Hubert Joe, “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”,Journal of Chemical Science, 122 (2010) 511–519

144. D Arul Dhas, I Hubert Joe, SDD Roy, TH Freeda, “DFT computations and spectroscopic analysis of a pesticide: Chlorothalonil”, Spectrochimica Acta Part A, 77 (2010) 36–44.

145. M Alcolea Palafox, G Tardajos, A Guerrero-Martínez, JK Vats, IHubert Joe, VK Rastogi, “Relationships observed in the structure and spectra of uracil and its 5-substituted derivatives”, Spectrochimica Acta Part A, 75 (2010) 1261–1269.

146. C Ravikumar, L Padmaja, I Hubert Joe, “Vibrational spectra and normal coordinate analysis of plant growth regulator 1-naphthalene acetamide”, Spectrochimica Acta Part A, 75 (2010) 859–866.

147. D Sajan, Y Erdogdu, Thomas Kuruvilla, I Hubert Joe, “Vibrational spectra and first-order molecular hyperpolarizabilities of p-hydroxybenzaldehyde dimer”,Journal of Molecular Structure, 983 (2010) 12–21.

148. Y Erdogdu, O Unsalan, M Amalanathan, I Hubert Joe,“Infrared and Raman spectra, vibrational assignment, NBO analysis and DFT calculations of 6-aminoflavone”,Journal of Molecular Structure, 980 (2010) 24–30.

149. M Alcolea Palafox, VK Rastogi, A Guerrero-Martínez, G Tardajos, IHubert Joe, JK Vats , “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”, Vibrational Spectroscopy, 52 (2010) 108–112.

150. D Sajan, HJ Ravindra, Neeraj Misra, I Hubert Joe, “Intramolecular charge transfer and hydrogen bonding interactions of nonlinear optical material N-benzoyl glycine: Vibrational spectral study”,Vibrational Spectroscopy, 54 (2010) 72–80.

151. V Bena Jothy, D Sajan, C Ravikumar, I Nemec, Chun-Nian Xia, VK Rastogi, I Hubert Joe, “First-order molecular hyperpolarizabilities and intramolecular charge transfer from the vibrational spectra of NLO material: ethyl-3-(3,4-dihydroxyphenyl)-2-propenoate”,Journal of Raman Spectroscopy, 40 (2009) 1822–1830.

152. M Snehalatha, C Ravikumar, I Hubert Joe, VS Jayakumar, “Vibrational spectra and scaled quantum chemical studies of the structure of Martius yellow sodium salt monohydrate”, Journal of Raman Spectroscopy, 40 (2009) 1121–1126.

153. I Hubert Joe, Irena Kostova, C Ravikumar, M Amalanathan, Simona Cînt Pînzaru, “Theoretical and vibrational spectral investigation of sodium salt of acenocoumarol”, Journal of Raman Spectroscopy, 40 (2009) 1033–1038.

154. C James, C Ravikumar, VS Jayakumar, I Hubert Joe, “Vibrational spectra and potential energy distributions for 1-benzyl-1H-imidazole by normal coordinate analysis”,Journal of Raman Spectroscopy, 40 (2009) 537–545.

155. L Padmaja, C Ravikumar, D Sajan, I Hubert Joe, VS Jayakumar, G. R. Pettit and O. Faurskov Nielsen, “Density functional study on the structural conformations and intramolecular charge transfer from the vibrational spectra of the anticancer drug combretastatin-A2”, Journal of Raman Spectroscopy, 40(2009) 419–428.

156. M Snehalatha, I Hubert Joe, C Ravikumar, VS Jayakumar, “Azure A chloride: computational and spectroscopic study”, Journal of Raman Spectroscopy, 40 (2009) 176–182.

157. T Vijayakumar, I Hubert Joe, CP Reghunadhan Nair, Mojca Jazbinsek, VS Jayakumar, “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”, Journal of Raman Spectroscopy, 40 (2009) 52–63.

158. T Vijayakumar, I Hubert Joe, CP Reghunadhan Nair, VS Jayakumar, “Vibrational spectral studies on charge transfer and ionic hydrogen-bonding interactions of nonlinear optical material L-arginine nitrate hemihydrate”, Journal of Raman Spectroscopy, 40 (2009) 18–30.

159. L Padmaja, M Amalanathan, C Ravikumar, I Hubert Joe, “NBO analysis and vibrational spectra of 2,6-bis(p-methyl benzylidene cyclohexanone) using density functional theory”,Spectrochimica Acta Part A, 74 (2009) 349–356.

160. M Snehalatha, C Ravikumar, I Hubert Joe, N Sekar, VS Jayakumar, “Spectroscopic analysis and DFT calculations of a food additive Carmoisine”, Spectrochimica Acta Part A, 72 (2009) 654–662.

161. M Snehalatha, C Ravikumar, I Hubert Joe, “Spectroscopic investigations and ab initio computations of the dye Chromotrope 2R”, Solid State Sciences, 11 (2009) 1275–1282.

162. Jose P Abraham, D Sajan, Venkataraya Shettigar, SM Dharmaprakash, I. Nemec, I Hubert Joe, VS Jayakumar, “Efficient π-electron conjugated push–pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study”, Journal of Molecular Structure, 917 (2009) 27–36.

163. Jose P Abraham, D. Sajan, Joseph Mathew, I Hubert Joe, V George, VS Jayakumar, “Structural conformations and electronic interactions of the natural product, oroxylin: a vibrational spectroscopic study”, Journal of Raman Spectroscopy, 39 (2008) 1821–1831.

164. D Sajan, GD Sockalingum, M Manfait, I Hubert Joe, VS Jayakumar, “NIR-FT Raman, FT-IR and surface-enhanced Raman scattering spectra, with theoretical simulations on chloramphenicol”, Journal of Raman Spectroscopy, 39 (2008) 1772–1783.

165. M Snehalatha, C Ravikumar, N Sekar, VS Jayakumar, I Hubert Joe, “FT-Raman, IR and UV-visible spectral investigations and ab initio computations of a nonlinear food dye amaranth”,Journal of Raman Spectroscopy, 39 (2008) 928–936.

166. Jose P Abraham, D Sajan, I Hubert Joe, VS Jayakumar, “Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of p-amino acetanilide”, Spectrochimica Acta Part A, 71 (2008) 355–367.

167. L Padmaja, C Ravikumar, C James, VS Jayakumar, I Hubert Joe, “Analysis of vibrational spectra of l-alanylglycine based on density functional theory calculations”, Spectrochimica Acta Part A, 71 (2008) 252–262.

168. C James, GR Pettit, OF Nielsen, VS Jayakumar, I Hubert Joe, “Vibrational spectra and ab initio molecular orbital calculations of the novel anti-cancer drug combretastatin A-4 prodrug”,Spectrochimica Acta Part A, 70 (2008) 1208–1216.

169. M Snehalatha, N Sekar, VS Jayakumar, I Hubert Joe,“Quantum chemical computations and Fourier transform infrared spectral studies of a nonlinear food dye E110”,Spectrochimica Acta Part A, 69 (2008) 82–90.

170. D Sajan, Jose P Abraham, I Hubert Joe, V.S. Jayakumar, J. Aubard, O. Faurskov Nielsen, “Molecular structure, vibrational spectra and first-order molecular hyperpolarizabilities of potential anti-cancer drug, combretastatin-A1”, Journal of Molecular Structure, 889 (2008) 129–143.

171. T Vijayakumar, I Hubert Joe, CP Reghunadhan Nair, VS Jayakumar, “Non-bonded interactions and its contribution to the NLO activity of Glycine Sodium Nitrate – A vibrational approach”, Journal of Molecular Structure, 877 (2008) 20–35.

172. T Vijayakumar, I Hubert Joe, CP Reghunadhan Nair, VS Jayakumar, “Efficient π-electrons delocalization in prospective push–pull non-linear optical chromophore 4–[N,N-dimethylamino]–40–nitro stilbene (DANS): A vibrational spectroscopic study”, Chemical Physics, 343 (2008) 83–99.

173. C Ravikumar, I Hubert Joe, VS Jayakumar, “Charge transfer interactions and nonlinear optical properties of push–pull chromophore benzaldehyde phenylhydrazone: A vibrational approach”, Chemical Physics Letters, 460 (2008) 552–558.

174. D Sajan, I Hubert Joe, VS Jayakumar, Jacek Zaleski, “Surface enhanced Raman spectra of the organic nonlinear optic material: Methyl 3-(4-methoxy phenyl)prop-2-enoate”, Journal of Chemical Science, 120 (2008) 1–6.

175. C James, C Ravikumar, Tom Sundius, V Krishnakumar, R Kesavamoorthy, VS Jayakumar, I Hubert Joe, “FT-Raman and FTIR spectra, normal coordinate analysis and ab initio computations of (2-methylphenoxy)acetic acid dimer”, Vibrational Spectroscopy, 47 (2008) 10–20.

176. C James, VS Jayakumar, I Hubert Joe, “Natural bond orbital analysis and vibrational spectroscopic studies of H-bonded N,N'-diphenylguanidinium nitrate”,Journal of Molecular Structure, 830 (2007) 156–166.

177. D Sajan, NB Prathima, C Murali Krishna, I Hubert Joe, VS Jayakumar, “Surface-Enhanced Raman Scattering of Methyl p-Hydroxy Benzoate: A Molecular Orientational Study”, Laser Physics, 17 (2007) 1217–1221.

178. V Bena Jothy, T Vijayakumar, VS Jayakumar, K Udayalekshmi, K Ramamoorthy, I Hubert Joe, “NIR-FT Raman and FT-IR spectral investigations of the nonlinear optical chromophore p-bromoacetanilide”, Journal of Raman Spectroscopy, 38 (2007) 1148–1158.

179. J Binoy, NB Prathima, C Murali Krishna, C Santhosh, I Hubert Joe, VS Jayakumar, “Influence of Intermolecular Amide Hydrogen Bonding on the Geometry, Atomic Charges, and Spectral Modes of Acetanilide: an Ab Initio Study”, Laser Physics, 16 (2006) 1253–1263.

180. V Bena Jothy, T Vijayakumar, D Sajan, VS Jayakumar, I Hubert Joe, “Vibrational Spectra and Ab Initio Computations of Sarcosinium Oxalate Monohydrate”,Laser Physics, 16 (2006) 1242–1252.

181. L Padmaja, T Vijayakumar, I Hubert Joe, CP Reghunadhan Nair, VS Jayakumar, “Vibrational spectral studies and the non-linear optical properties of a novel NLO material L-prolinium tartrate”, Journal of Raman Spectroscopy, 37 (2006) 1427–1441.

182. C James, A Amal Raj, R Reghunathan, VS Jayakumar, I Hubert Joe, “Structural conformation and vibrational spectroscopic studies of 2,6-bis(p-N,N-dimethyl benzylidene) cyclohexanone using density functional theory”, Journal of Raman Spectroscopy, 37 (2006) 1381–1392.

183. D Sajan, A Fischer, I Hubert Joe,VS Jayakumar, “Dimerisation and vibrational spectroscopic properties of (RS)–phenylsuccinic acid”, Journal of Raman Spectroscopy, 37 (2006) 1307–1318.

184. D Sajan, I Hubert Joe,VS Jayakumar, “NIR-FT Raman, FT-IR and surface-enhanced Raman scattering spectra of organic nonlinear optic material: p-hydroxy acetophenone”, Journal of Raman Spectroscopy, 37(2006)508–519.

185. D Sajan, Hubert Joe, V.S. Jayakumar, Jacek Zaleski, “Structural and electronic contributions to hyperpolarizability in methyl p-hydroxy benzoate”, Journal of Molecular Structure, 785 (2006) 43–53.

186. J Binoy, C James, I Hubert Joe, VS Jayakumar, “Vibrational analysis and Y-aromaticity in bis (N,N′-diphenyl guanidinium) oxalate crystal: A DFT study”, Journal of Molecular Structure, 784 (2006) 32–46.

187. D Sajan, Andreas Fischer, I Hubert Joe, VS Jayakumar, “Surface-enhanced Raman scattering and the adsorption behavior of (RS)-phenylsuccinic acid”, Spectrochimica Acta Part A, 64 (2006) 580–585.

188. J Binoy, I Hubert Joe, VS Jayakumar, “Changes in the vibrational spectral modes by the nonbonded interactions in the NLO crystal vanillin”, Journal of Raman Spectroscopy, 36 (2005) 1091–1100.

189. D Sajan, KP Laladhas, I Hubert Joe, VSJayakumar, “Vibrational spectra and density functional theoretical calculations on the antitumor drug, plumbagin”, Journal of Raman Spectroscopy, 36(2005) 1001–1011.

190. D Sajan, J Binoy, I Hubert Joe, VS Jayakumar, J Zaleski, “Vibrational spectral studies of methyl 3-(4-methoxyphenyl) prop-2-enoate, a new organic non-linear optic crystal”, Journal of Raman Spectroscopy, 36(2005) 221–236.

191. J Binoy, Jose P Abraham, I Hubert Joe, V George, VS Jayakumar, J Aubard, OF Nielsen, “Near-infrared Fourier transform Raman, surface-enhanced Raman scattering and Fourier transform infrared spectra and ab initio calculations of the natural product nodakenetin angelate”, Journal of Raman Spectroscopy, 36 (2005) 63–72.

192. J Binoy, I Hubert Joe, VS Jayakumar, OF Nielsen, J Aubard, “DFT based relaxed PES scan studies and SERS of anti cancer drug, Combretastatin A-4”, Laser Physics Letters, 2 (2005) 544–550.

193. D Sajan, I Hubert Joe, J Zaleski, VS Jayakumar, “Intramolecular charge delocalization and nonlinear optical properties of Methyl 3-(4-methoxyphenyl) prop-2-enoate from vibrational spectra”, Laser Physics Letters, 2 (2005) 343–350.

194. J Binoy, Jose P Abraham, I Hubert Joe, VS Jayakumar, GR Pettit, OF Nielsen, “NIR-FT Raman and FT-IR spectral studies and ab initio calculations of the anti-cancer drug combretastatin-A4”, Journal of Raman Spectroscopy, 35 (2004) 939–946.

195. D Sajan, J Binoy, B Pradeep, K Venkata Krishna, VB Kartha, I Hubert Joe, VS Jayakumar, “NIR-FT Raman and infrared spectra and ab initio computations of glycinium oxalate”, Spectrochimica Acta Part A, 60 (2004) 173–180. K Ejsmont, J Zaleski, I Hubert Joe, VS Jayakumar, “Bis(glycylglycinium) oxalate at 100 K”, Acta Crystallographica Section C, 59 (2003) 553–555.

196. Jose P Abraham, I Hubert Joe, V George, OF Nielsen, VS Jayakumar, “Vibrational spectroscopic studies on the natural product, columbianadin”, Spectrochimica Acta Part A, 59 (2003) 193–199.

197. I Hubert Joe, AK Vasudevan, G Aruldhas, AD Damodaran, KGK Warrier, “FTIR Study of High Temperature Phase Formation In Sol-Gel Aluminium Titanate,” Transactions of the Indian Ceramic Society, 59 (2000) 22–24.

198. Antony Eapen, I Hubert Joe, G Aruldhas, “Vibrational and SERS Spectra of Spermine Phosphate Hexahydrate”, Spectroscopy Letters: An International Journal for Rapid Communication, 30 (1997) 751–770.

199. I Hubert Joe, Asha K Vasudevan, G Aruldhas, AD Damodaran, KGK Warrier, “FTIR as a Tool to Study High-Temperature Phase Formation in Sol–Gel Aluminium Titanate”, Journal of Solid State Chemistry, 131 (1997) 181–184

200. Antony Eapen, I Hubert Joe, G Aruldhas, “FT-IR, Raman and SERS spectra of Arcain sulfate”, Journal of Solid State Chemistry, 133 (1997) 423–429.

201. I Hubert Joe, VS Jayakumar, G Aruldhas, “FT-IR and Polarized Raman Spectra of N(CH3)4H2PO4.H2O”, Journal of Solid State Chemistry, 120 (1995) 343-352.

202. VS Jayakumar, I Hubert Joe, G Aruldhas, “IR and single crystal Raman spectra of langbeinities M2Ni2(SO4)3(M=NH4,K)”, Ferroelectrics, 165(1995) 307–318.

203. I Hubert Joe, G Aruldhas, S Anbukumar, P Ramasamy, “Vibrational spectra and phase transition in triglycine sulpho-phosphate”, Crystal Research and Technology, 29 (1994) 685–692.

204. Bini Lizbeth George, I Hubert Joe, G Aruldhas, “Vibrational spectra of tris(methylammonium)cyclotriphosphate”, Journal of Raman Spectroscopy, 23 (1992) 417–419.

205. I Hubert Joe, G Aruldhas, Gabor Keresztury, “Vibrational spectra of α-CaNa2P2O7 • 4H2O, CaNH4NaP2O7 • 3H2O and CdNH4NaP2O7 • 3H2O”, Journal of Raman Spectroscopy, 22 (1991) 537–539.

206. I Hubert Joe, Daizy Philip, G Aruldhas, IL Botto, “Raman and IR spectra of β-alanine and sarcosine monophosphates”, Journal of Raman Spectroscopy, 22 (1991) 423–425.