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Molecular conformational analysis, vibrational spectra, NBO, NLO, HOMO-LUMO and molecular docking studies of ethyl 3-(E)-(anthracen-9-yl)prop-2-enoate based on density functional theory calculations.
Mary YS, Varghese HT, Panicker CY, Thiemann T, Al-Saadi AA, Popoola SA, Van Alsenoy C, Al Jasem Y. Mary YS, et al. Among authors: popoola sa. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Nov 5;150:533-42. doi: 10.1016/j.saa.2015.05.092. Epub 2015 Jun 3. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 26079511
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