Dr.S.G. Upgraded Profile final May. 2015 | Page 18

52. Quantum Chemical and Spectroscopic (FT-IR, FT-Raman) Study, first Order
Hyperpolarizability, NBO, HOMO and LUMO analysis of Selegiline by DFT
Method, Oriental Journal of Chemistry, Vol.29 (1), 1-16, 2013.
53. Vibrational Spectroscopic Investigation on Propylthiouracil, International Journal of
Recent Scientific Research, Vol.3 (7), 590-597, 2012.
54. Spectroscopic and Quantum Chemical (HF/DFT) Analysis on Levamisole,
International Journal of Current Research, Vol.4 (2), 324-332, 2012.
55. Vibrational Spectroscopic investigation using ab initio and density functional theory
on 3’ – Chloropropiophenone and 3’-nitro propiophonone, Spectrochim.Acta, Part A,
75, 567-573, 2010.
56. Infrared, optical absorption and EPR spectroscopic studies on natural gypsum,
Vibrational Spectroscopy, 50, 226-230, 2009.
57. Crystal Growth, thermal, optical studies of Urea Thiourea Magnesium
Sulphate(UTMS), International Journal of Chemical and Technological
Research,1(3), 649-653, 2009.
58. Theoretical and experimental studies of Vibrational spectra and thermal analysis of 2
– nitro aniline and its cation, Journal of Molecular Modeling, 16, 87-94, 2010.
59. Investigation of silicate mineral sanidine by Vibrational and NMR spectroscopic
methods, Spectrochimica Acta Part A, 74(2), 404-409, 2009.
60. Spectroscopic characterization of natural chrysotile, Vibrational Spectroscopy, 52,
122-127, 2010.
61. Spectroscopic characterization of Indian Quartz Standard Sand, Journal of Applied
Spectroscopy, 77(1), 95-103, 2010.
62. Vibrational assignments and electronic structure calculations for 6 – thioguanine,
Journal of Raman Spectroscopy,40, 1675-1681, 2009.
63. Vibrational spectroscopy investigation using ab initio and density functional theory on
3’- chloropropiophenone and 3’ nitropropiophenone, Spectrochimica Acta part A,
75,567-573, 2010.
64. Growth, FT-IR and DFT study of L-Phenylalanine, Archives of Applied Science
Research, 2 (2), 223-232, 2010.
65. FT-IR, FT-Raman and UV-Vis spectra and quantum chemical investigation of
carvedilol, Molecular Simulation, 36(4), 283 - 290, 2010.
66. Experimental and Semi-empirical computations of the vibrational spectra of
Methionine, Homocysteine and Cysteine, Archives of Physics Research, 1 (1) 12-26,
2010.
67. Density functional theory, restricted Hartree-Fock simulations and vibrational
spectroscopic studies of nicorandil, Molecular Simulation, 36 (6) 425 - 433, 2010.
68. Non Isothermal decomposition of Indian limestone of marine origin, J Therm Anal
Calorim, 97, 917-921, 2009.
69. Vibrational spectroscopy investigation using ab initio and density functional theory on
7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1 – dioxide, J. Raman Spectroscopy,
40, 639-644, 2010.
70. Vibrational spectroscopy investigation using ab initio and density functional theory on
p - Anisaldehyde, Spectrochimica Acta part A, 70, 550-556, 2008.
71. Spectroscopic study of phase transition in natural calcite mineral, Spectrochimica
Acta part A, 69, 1246-1251, 2008.
72. Optical absorption and EPR studies on some natural carbonate minerals, Spectrochim
Acta A. 69, 383-390, 2008.
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