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. 2021 Aug 2;26(15):4677. doi: 10.3390/molecules26154677

Figure 2.

Figure 2

The calculated potential energy (in kcal/mol) profile for the dissociation pathway R1 at CCSD(T)/aptz//B3LYP/aptz level. The values in blue are for Ng = Kr and values in red are for Ng = Xe. The oxygen atoms are assumed to be in singlet state.