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CSM-lig: a web server for assessing and comparing protein–small molecule affinities.
(Oxford University Press, 2016)
In pursuit of negative Fukui functions: Molecules with very small band gaps
(Springer Verlag, 2014)
A justification for the likely presence of negative Fukui functions in molecules with small band gaps is given, and a computational study performed to check whether molecules with small band gaps have negative Fukui functions ...