CO adsorption sites on interstellar water ices explored with machine learning potentials - Binding energy distributions and snowline

Open Access

Table C.2

Comparison of mean binding energies for CO-W₂₂ binding sites.

	MLP	DFT
BE	947	963
Std Dev	276	260

Notes. The comparison includes 22 distinct binding sites. Geometries were optimized and binding energies (BE) were computed at the MPWB1K-D3BJ/def2-TZVP level of theory. All values are in K.

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