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. 2015 Nov 6;5:16307. doi: 10.1038/srep16307

Figure 3. Interactions of CO with Na+ and Cl at the MP2/aVTZ level.

Figure 3

Ee is in kJ/mol at the CCSD(T)/CBS level; The shortest distance dC/O from C/O to Na+/Cl at the (local) minimum energy potential is given in pm at the CCSD(T)/aVTZ level. Na+ has two minima along the C-e and O-e, while Cl has two identical minima nearly along the C-p.