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. 2016 Apr 4;6:24005. doi: 10.1038/srep24005

Figure 3. Density functional theory calculations and theoretical basis for the observed discrimination.

Figure 3

(a) Gas-phase dissociation of Na+ from adducts 7 and 8. ΔEa analysis for conformers based on theoretical calculations of compounds (b) [7 + Na]+ and (c) [8 + Na]+.