Browsing by Author "577cc580-3c89-42b9-950a-7a84c1d5ee53"
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Cárdenas, Carlos; Ayers, Paul; De Proft, Frank; Tozer, David J.; Geerlings, Paul (2011)Despite recent advances in computing negative electron affinities using density-functional theory, it is an open issue as to whether it is appropriate to use negative electron affinities, instead of zero electron affinity, ...