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J. Karpagam, N. Sundaraganesan, S. Sebastian, S. Manoharan and M. Kurt Molecular structure, vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 3-hydroxy-2-naphthoic acid hydrazide Journal of Raman Spectroscopy 41

Article first published online: 8 SEP 2009 | DOI: 10.1002/jrs.2408

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A complete vibrational, HOMO, LUMO analysis of 3-hydroxy-2-naphthoic acid hydrazide was performed by combining the experimental and theoretical information using Pulay's density functional theory based quantum chemical approach.

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