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Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
The difference between VEA of the cation and VIP of the anion for common energetic salts (a) and cyclo-N5− salts (b) at DFT-B3LYP/6-311++G(d,p) level in water.