Publications
Scopus Documents : V S Jayakumar
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Snehalatha, M., Ravikumar, C., Joe, I.H., Jayakumar, V.S.
Vibrational spectra and scaled quantum chemical studies of the structure of Martius yellow sodium salt monohydrate
(2009) Journal of Raman Spectroscopy, 40 (9), pp. 1121-1126. Cited 1 time.
James, C., Ravikumar, C., Jayakumar, V.S., Joe, I.H.
Vibrational spectra and potential energy distributions for 1-benzyl-1H-imidazole by normal coordinate analysis
(2009) Journal of Raman Spectroscopy, 40 (5), pp. 537-545. Cited 4 times.
Padmaja, L., Ravikumar, C., Sajan, D., Joe, I.H., Jayakumar, V.S., Pettit, G.R., Nielsen, O.F.
Density functional study on the structural conformations and intramolecular charge transfer from the vibrational spectra of the anticancer drug combretastatin-A2
(2009) Journal of Raman Spectroscopy, 40 (4), pp. 419-428. Cited 7 times.
Snehalatha, M., Ravikumar, C., Hubert Joe, I., Sekar, N., Jayakumar, V.S.
Spectroscopic analysis and DFT calculations of a food additive Carmoisine
(2009) Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 72 (3), pp. 654-662. Cited 11 times.
Snehalatha, M., Hubert Joe, I., Ravikumar, C., Jayakumar, V.S.
Azure A chloride: Computational and spectroscopic study
(2009) Journal of Raman Spectroscopy, 40 (2), pp. 176-182. Cited 2 times.
Abraham, J.P., Sajan, D., Shettigar, V., Dharmaprakash, S.M., Němec, I., Hubert Joe, I., Jayakumar, V.S.
Efficient π-electron conjugated push-pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study
(2009) Journal of Molecular Structure, 917 (1), pp. 27-36. Cited 3 times.
Vijayakumar, T., Hubert Joe, I., Reghunadhan Nair, C.P., Jazbinsek, M., Jayakumar, V.S.
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
(2009) Journal of Raman Spectroscopy, 40 (1), pp. 52-63. Cited 3 times.
Sajan, D., Sockalingum, G.D., Manfait, M., Hubert Joe, I., Jayakumar, V.S.
NIR-FT Raman, FT-IR and surface-enhanced Raman scattering spectra, with theoretical simulations on chloramphenicol
(2008) Journal of Raman Spectroscopy, 39 (12), pp. 1772-1783. Cited 2 times.
Abraham, J.P., Sajan, D., Mathew, J., Joe, I.H., George, V., Jayakumar, V.S.
Structural conformations and electronic interactions of the natural product, oroxylin: A vibrational spectroscopic study
(2008) Journal of Raman Spectroscopy, 39 (12), pp. 1821-1831. Cited 3 times.
Abraham, J.P., Sajan, D., Joe, I.H., Jayakumar, V.S.
Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of p-amino acetanilide
(2008) Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 71 (2), pp. 355-367. Cited 2 times.
Padmaja, L., Ravikumar, C., James, C., Jayakumar, V.S., Hubert Joe, I.
Analysis of vibrational spectra of l-alanylglycine based on density functional theory calculations
(2008) Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 71 (1), pp. 252-262. Cited 1 time.
Sajan, D., Abraham, J.P.,Hubert Joe, I., Jayakumar, V.S.,Aubard, J., Faurskov Nielsen,O.
Molecular structure, vibrational spectra and first-order molecular hyperpolarizabilities of potential anti-cancer drug, combretastatin-A1
(2008) Journal of Molecular Structure, 889 (1-3), pp. 129-143. Cited 3 times.
James, C., Pettit, G.R., Nielsen, O.F., Jayakumar, V.S., Joe, I.H.
Vibrational spectra and ab initio molecular orbital calculations of the novel anti-cancer drug combretastatin A-4 prodrug
(2008) Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 70 (5), pp. 1208-1216. Cited 8 times.
Ravikumar, C., Joe, I.H., Jayakumar, V.S.
Charge transfer interactions and nonlinear optical properties of push-pull chromophore benzaldehyde phenylhydrazone: A vibrational approach
(2008) Chemical Physics Letters, 460 (4-6), pp. 552-558. Cited 22 times.
Sajan, D., Joe, I.H., Jayakumar, V.S., Zaleski, J.
Surface enhanced Raman spectra of the organic nonlinear optic material: Methyl 3-(4-methoxy phenyl)prop-2-enoate
(2008) Journal of Chemical Sciences, 120 (4), pp. 405-410. Cited 1 time.
Snehalatha, M., Ravikumar, C., Sekar, N., Jayakumar, V.S., Hubert Joe, I.
FT-Raman, IR and UV-visible spectral investigations and ab initio computations of a nonlinear food dye amaranth
(2008) Journal of Raman Spectroscopy, 39 (7), pp. 928-936. Cited 6 times.
James, C., Ravikumar, C., Sundius, T., Krishnakumar, V., Kesavamoorthy, R., Jayakumar, V.S., Hubert Joe, I.
FT-Raman and FTIR spectra, normal coordinate analysis and ab initio computations of (2-methylphenoxy)acetic acid dimer
(2008) Vibrational Spectroscopy, 47 (1), pp. 10-20. Cited 3 times.
Vijayakumar, T., Hubert Joe, I., Reghunadhan Nair, C.P., Jayakumar, V.S.
Non-bonded interactions and its contribution to the NLO activity of Glycine Sodium Nitrate - A vibrational approach
(2008) Journal of Molecular Structure, 877 (1-3), pp. 20-35. Cited 6 times.
Vijayakumar, T., Hubert Joe, I., Reghunadhan Nair, C.P., Jayakumar, V.S.
Efficient π electrons delocalization in prospective push-pull non-linear optical chromophore 4-[N,N-dimethylamino]-4′-nitro stilbene (DANS): A vibrational spectroscopic study
(2008) Chemical Physics, 343 (1), pp. 83-99. Cited 17 times.
Snehalatha, M., Sekar, N., Jayakumar, V.S., Joe, I.H.
Quantum chemical computations and Fourier transform infrared spectral studies of a nonlinear food dye E110
(2008) Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 69 (1), pp. 82-90. Cited 8 times.
Bena Jothy, V., Vijayakumar, T., Jayakumar, V.S., Udayalekshmi, K., Ramamoorthy, K., Hubert Joe, I.
NIR-FT Raman and FT-IR spectral investigations of the nonlinear optical chromophore p-bromoacetanilide
(2007) Journal of Raman Spectroscopy, 38 (9), pp. 1148-1158. Cited 13 times.
Sajan, D., Prathima, N.B., Krishna, C.M., Joe, I.H., Jayakumar, V.S.
Surface-enhanced Raman scattering of methyl p-hydroxy benzoate: A molecular orientational study
(2007) Laser Physics, 17 (10), pp. 1217-1221.
James, C., Jayakumar, V.S., Hubert Joe, I.
Natural bond orbital analysis and vibrational spectroscopic studies of H-bonded N,N′-diphenylguanidinium nitrate
(2007) Journal of Molecular Structure, 830 (1-3), pp. 156-166. Cited 6 times.
James, C., Raj, A.A., Reghunathan, R., Jayakumar, V.S., Joe, I.H.
Structural conformation and vibrational spectroscopic studies of 2,6-bis(p-N,N-dimethyl benzylidene) cyclohexanone using density functional theory
(2006) Journal of Raman Spectroscopy, 37 (12), pp. 1381-1392. Cited 26 times.
Padmaja, L., Vijayakumar, T., Hubert Joe, I., Reghunadhan Nair, C.P., Jayakumar, V.S.
Vibrational spectral studies and the non-linear optical properties of a novel NLO material L-prolinium tartrate
(2006) Journal of Raman Spectroscopy, 37 (12), pp. 1427-1441. Cited 11 times.
Sajan, D., Fischer, A., Hubert Joe, I., Jayakumar, V.S.
Dimerisation and vibrational spectroscopic properties of (RS)-phenylsuccinic acid
(2006) Journal of Raman Spectroscopy, 37 (11), pp. 1307-1318. Cited 3 times.
Binoy, J., Prathima, N.B., Murali Krishna, C., Santhosh, C., Hubert Joe, I., Jayakumar, V.S.
Influence of intermolecular amide hydrogen bonding on the geometry, atomic charges, and spectral modes of acetanilide: An ab initio study
(2006) Laser Physics, 16 (8), pp. 1253-1263. Cited 2 times.
Bena Jothy, V., Vijayakumar, T., Sajan, D., Jayakumar, V.S., Joe, I.H.
Vibrational spectra and ab initio computations of sarcosinium oxalate monohydrate
(2006) Laser Physics, 16 (8), pp. 1242-1252. Cited 3 times.
Sajan, D., Fischer, A., Joe, I.H., Jayakumar, V.S.
Surface-enhanced Raman scattering and the adsorption behavior of (RS)-phenylsuccinic acid
(2006) Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 64 (3), pp. 580-585. Cited 3 times.
Sajan, D., Hubert Joe, I., Jayakumar, V.S.
NIR-FT Raman, FT-IR and surface-enhanced Raman scattering spectra of organic nonlinear optic material: p-hydroxy acetophenone
(2006) Journal of Raman Spectroscopy, 37 (4), pp. 508-519. Cited 15 times.
Sajan, D., Joe, H., Jayakumar, V.S., Zaleski, J.
Structural and electronic contributions to hyperpolarizability in methyl p-hydroxy benzoate
(2006) Journal of Molecular Structure, 785 (1-3), pp. 43-53. Cited 31 times.
Binoy, J., James, C., Hubert Joe, I., Jayakumar, V.S.
Vibrational analysis and Y-aromaticity in bis (N,N′-diphenyl guanidinium) oxalate crystal: A DFT study
(2006) Journal of Molecular Structure, 784 (1-3), pp. 32-46. Cited 10 times.
Saja, D., Joe, I.H., Jayakumar, V.S.
Vibrational spectra and density functional calculation of Organic nonlinear optic crystal p-amino acetanilide
(2006) Journal of Physics: Conference Series, 28 (1), pp. 123-126. Cited 3 times.
Binoy, J., Joe, I.H., Jayakumar, V.S.
Changes in the vibrational spectral modes by the nonbonded interactions in the NLO crystal vanillin
(2005) Journal of Raman Spectroscopy, 36 (12), pp. 1091-1100. Cited 10 times.
Binoy, J., Joe, I.H., Jayakumar, V.S., Nielsen, O.F., Aubard, J.
DFT based relaxed PES scan studies and SERS of anti cancer drug, combretastatin A-4
(2005) Laser Physics Letters, 2 (11), pp. 544-550. Cited 2 times.
Sajan, D., Laladhas, K.P., Hubert Joe, I., Jayakumar, V.S.
Vibrational spectra and density functional theoretical calculations on the antitumor drug, plumbagin
(2005) Journal of Raman Spectroscopy, 36 (10), pp. 1001-1011. Cited 19 times.
Sajan, D., Joe, I.H., Zaleski, J., Jayakumar, V.S.
Intramolecular charge delocalization and nonlinear optical properties of methyl 3-(4-methoxy phenyl) prop-2-enoate from vibrational spectra
(2005) Laser Physics Letters, 2 (7), pp. 343-350. Cited 11 times.
Sajan, D., Binoy, J., Joe, I.H., Jayakumar, V.S., Zaleski, J.
Vibrational spectral studies of methyl 3-(4-methoxy-phenyl)prop-2-enoate, a new organic non-linear optic crystal
(2005) Journal of Raman Spectroscopy, 36 (3), pp. 221-236. Cited 29 times.
Binoy, J., Abraham, J.P., Joe, I.H., George, V., Jayakumar, V.S., Aubard, J., Nielsen, O.F.
Near-infrared Fourier transform Raman, surface-enhanced Raman scattering and Fourier transform infrared spectra and ab initio calculations of the natural product nodakenetin angelate
(2005) Journal of Raman Spectroscopy, 36 (1), pp. 63-72. Cited 39 times.
Binoy, J., Abraham, J.P., Joe, I.H., Jayakumar, V.S., Pettit, G.R., Nielsen, O.F.
NIR-FT Raman and FT-IR spectral studies and ab initio calculations of the anti-cancer drug combretastatin-A4
(2004) Journal of Raman Spectroscopy, 35 (11), pp. 939-946. Cited 26 times.
Sajan, D., Binoy, J., Pradeep, B., Venkata Krishna, K., Kartha, V.B., Joe, I.H., Jayakumar, V.S.
NIR-FT Raman and infrared spectra and ab initio computations of glycinium oxalate
(2004) Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 60 (1-2), pp. 173-180. Cited 25 times.
Ejsmont, K., Zaleski, J., Joe, I.H., Jayakumar, V.S.
Bis(glycylglycinium) oxalate at 100 K
(2003) Acta Crystallographica Section C: Crystal Structure Communications, 59 (10), pp. o553-o555. Cited 2 times.
Abraham, J.P., Joe, I.H., George, V., Nielsen, O.F., Jayakumar, V.S.
Vibrational spectroscopic studies on the natural product, columbianadin
(2003) Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 59 (1), pp. 193-199. Cited 32 times.
Joe, I.H., Jayakumar, V.S., Aruldhas, G.
FT-IR and Polarized Raman Spectra of N(CH3)4H2PO4 • H2O
(1995) Journal of Solid State Chemistry, 120 (2), pp. 343-352. Cited 9 times.
Jayakumar, V.S., Sekar, G., Rajagopal, P., Aruldhas, G.
IR and polarized Raman spectra of (NH4)2Mg(SO4)2• 6 H2O
(1988) Physica Status Solidi (A) Applied Research, 109 (2), pp. 635-640. Cited 8 times.
