Dr.S.G. Upgraded Profile final May. 2015 | Page 15
(a) Papers Published in International Journals
1. Synthesis, characteristics and antimicrobial activity of ZnO nanoparticles,
Spectrochim.Acta Part A, 144, 17-22, 2015.
2. Structural and vibrational spectroscopic studies on charge transfer and ionic hydrogen
bonding interactions of melaminium benzoate dehydrate, Spectrochim.Acta Part A,
145, 394–409, 2015.
3. Conformational analysis, X-ray crystallographic, FT-IR, FT-Raman, DFT, MEP and
molecular docking studies on 1-(1-(3-methoxyphenyl) ethylidene) thiosemicarbazide,
Spectrochim.Acta Part A, 139, 321–328, 2015.
4. Spectroscopic and Theoretical studies of 4-cloro-3-formyl-6-methylcoumarin
(4C3F6MC), Int.J.Curr.Res.Aca.Rev.,3(3),110-129,2015.
5. Sructural, Spectroscopic (FTIR, FT Raman & UV-Vis) and Theoretical Studies of
4,6-Dichloro-3-formyl coumarin, Int.J.Curr.Res.Aca.Rev.,3(3),130-149,2015.
6. Combined spectroscopic and DFT studies on 6-bromo-4-chloro-3-formyl coumarin,
Spectrochim.Acta Part A, 139, 505–514, 2015.
7. Density functional theory studies on molecular structure, vibrational spectra and
electronic properties of cyanuric acid, Spectrochim.Acta Part A, 138, 711-722, 2015
8. Vibrational spectra (FT-IR, FT-Raman), frontier molecular orbital, first
hyperpolarizability, NBO analysis and thermodynamics properties of Piroxicam by
HF and DFT methods, Spectrochim.Acta Part A, 138, 447-459, 2015.
9. Experimental, quantum chemical and NBO/NLMO investigations of pantoprazole,
Spectrochim.Acta Part A, 136, 247-255, 2015.
10. Spectroscopic (FT-IR, FT-Raman and UV) investigation, NLO, NBO, molecular
orbital and MESP analysis of 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid,
Spectrochim.Acta Part A, 136, 1543-1556, 2015.
11. DFT studies on vibrational spectra, HOMO-LUMO, NBO and thermodynamic
function analysis of cyanuric fluoride, Spectrochim.Acta Part A, 136, 494-503, 2015.
12. Spectroscopic investigation on glutamic acid by Coulomb-attenuating and double
hybrid density functional theory methods, Molecular Simulation, 41, 333-344, 2015.
13. Spectroscopic and Computational insights into the structure of Chlorthalidone using
HF and DFT methods, Indian Journal of Science, 13(36), 7-18, 2015.
14. Computation and interpretation of vibrational spectra on the structure of Losartan
using ab initio and Density Functional methods, Spectrochim.Acta Part A, 132, 375386, 2014.
15. Spectroscopic (FT-IR, FT-Raman, NMR and UV-Visible) and quantum chemical
studies of molecular geometry, Frontier molecular orbital, NLO, NBO and
thermodynamic properties of salicylic acid, Spectrochim.Acta Part A, 132, 130-141,
2014.
16. DFT computational analysis of piracetam, Spectrochim.Acta Part A, 132, 249-255,
2014.
17. Studies on crystal growth, vibrational, optical, thermal and dielectric properties of
new organic nonlinear optical crystal: Bis (2,3-dimethoxy-10- oxostrychnidinium)
phthalate nonahydrate single crystal, Spectrochim.Acta Part A, 131, 114-124, 2014.
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