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Table 4

Views of the most stable geometries of the adsorbed CH3CN and CH3NC, and HCN and HNC couples of isomers on apolar water ice.

CH3CN CH3NC

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Eads = 558 meV Eads = 545 meV
12.87 kcal mol-1 12.57 kcal mol-1

HCN HNC

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Eads = 601 meV Eads = 776 meV
13.87 kcal mol-1 17.91 kcal mol-1

Notes. Adsorption energies Eads are given in meV and kcal mol-1.

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