Informing the design of amino-acid fingerprinting reagents using density functional theory by Lily Hunnisett

“…The relevance of these findings with respect to the solid-state structures is also offered through analysis of the crystal packing in previously reported X-ray crystal structures.It is recommended that further investigation be carried out on a larger set of chromophoric systems to further validate the presented workflow, validation of which will offer an informative predictive tool to be utilised in a product-to-reactant approach to the design of new fluorescent FFRs.…”
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