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. 2016 Nov 1;1(5):765–772. doi: 10.1021/acsomega.6b00249

Table 4. Noble Gas Dissociation Relative Energies (kcal/mol).

reactions DF-MP2/6-31+G* CCSD(T)/aug-cc-pVTZ ZPVEa
CN+ + Ar → ArCN+ –51.3 –52.8 –51.5
C2H+ + Ar → ArCCH+ –102.8 –67.0 –64.6
C2H+ + Ne → NeCCH+ –44.1 –21.8 –15.1
a

CCSD(T)/aug-cc-pVTZ ZPVE included in the dissociation energy.