A DFT study on the chiral synthesis of R-phenylacetyl carbinol within the quantum chemical cluster approach
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DOI: 10.1016/j.cplett.2017.03.066
Abstract: Abstract The reaction pathway leading to R-phenylacetyl carbinol within the quantum chemical cluster approach is addressed by means of density functional theory (DFT) calculations. The study includes calculation of Fukui functions, activation free energies, and… read more here.
Keywords: chemical cluster; quantum chemical; cluster approach; phenylacetyl carbinol ... See more keywords