Bowl-shaped structures from acylphloroglucinols: an ab initio and DFT study
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DOI: 10.1080/00268976.2017.1306127
Abstract: ABSTRACT Molecular structures containing bowl-shaped cavities are interesting for purposes such as hosting metal ions or a variety of molecules, including drug molecules. This study considers bowl-shaped structures formed from phloroglucinol (1,3,5-trihydroxybenzene) or acylphloroglucinols (its… read more here.
Keywords: dft; structures acylphloroglucinols; geometry; shaped structures ... See more keywords