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Spectroscopic properties, NLO, HOMO-LUMO and NBO of maltol.
Krishnakumar V, Barathi D, Mathammal R, Balamani J, Jayamani N. Krishnakumar V, et al. Among authors: jayamani n. Spectrochim Acta A Mol Biomol Spectrosc. 2014;121:245-53. doi: 10.1016/j.saa.2013.10.068. Epub 2013 Oct 26. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24247097
Vibrational assignment of the spectral data, molecular dipole moment, polarizability, first hyperpolarizability, HOMO-LUMO and thermodynamic properties of 5-nitoindan using DFT quantum chemical calculations.
Krishna Kumar V, Sangeetha R, Barathi D, Mathammal R, Jayamani N. Krishna Kumar V, et al. Among authors: jayamani n. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jan 24;118:663-71. doi: 10.1016/j.saa.2013.08.089. Epub 2013 Sep 19. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24096062