The diamine cation is not a chemical example where density functional theory fails.

Nat Commun

Department of Physics & Astronomy, University of California, Riverside, CA, 92521, USA.

Published: November 2018

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6226436PMC
http://dx.doi.org/10.1038/s41467-018-07266-yDOI Listing

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