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. Author manuscript; available in PMC: 2019 Sep 11.
Published in final edited form as: J Chem Phys. 2019 Aug 7;151(5):054312. doi: 10.1063/1.5110670

Figure 1.

Figure 1

Equilibrium geometries and relative energies (ZPE corrections are included) of the equilibrium structures for the different MC3N (M=Li,Na) isomers obtained at the MP2/aug-cc-pVTZ and the CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pVTZ levels respectively. Distances are given in Ã…ngstroms. Upper values are for LiC3N species, whereas lower values (in Italics) correspond to NaC3N isomers.