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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|February 19, 2013
Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, TD-DFT and thermodynamic analysis of 4-amino-3-hydroxy-1-naphthalenesulfonic acid by DFT approachS Sebastian, S Sylvestre, N Sundaraganesan, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|November 15, 2011
Analysis of vibrational spectra and nonlinear optical properties of organic molecule L-alaninium formateC Jesintha John, T S Xavier, M Amalanathan, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|December 3, 2014
Study on conformational stability, molecular structure, vibrational spectra, NBO, TD-DFT, HOMO and LUMO analysis of 3,5-dinitrosalicylic acid by DFT techniquesS Sebastian, S Sylvestre, J Jayabharathi, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|September 25, 2012
Vibrational spectral investigation and Natural Bond Orbital analysis of anti-rheumatoid drug ethyl 4-nitrophenylacetate--DFT approachD M Suresh, M Amalanathan, S Sebastian, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|June 20, 2014
Vibrational spectra (FT-IR and FT-Raman), molecular structure, natural bond orbital, and TD-DFT analysis of L-Asparagine Monohydrate by Density Functional Theory approachS Sylvestre, S Sebastian, S Edwin, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|July 23, 2013
Vibrational spectral investigation and natural bond orbital analysis of pharmaceutical compound 7-Amino-2,4-dimethylquinolinium formate - DFT approachD M Suresh, M Amalanathan, S Sebastian, et al.
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