Computational study on the molecular conformations of phenolic compounds
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DOI: 10.1007/s11224-017-1017-9
Abstract: The study of the conformation of eight phenolic compounds (i.e. phenol, guaiacol, syringol, pyrocatechol, o-, m-, p-cresol and vanillin) was carried out using B3LYP (Becke, 3-parameter, Lee-Yan-Parr) method and cc-pVTZ (correlation consistent polarized polarisation Valence… read more here.
Keywords: study molecular; computational study; study; molecular conformations ... See more keywords