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

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Table 3

BEs and TPD peaks for different binding energy regimes.

System	BE regime	Min(BE), avg(BE)	TPD peak
	VH	1333, 1454	47 (38)
CO-npASW	VH + H	1111, 1258	39 (33)
	VH + H + M	667, 973	31 (25)

	VH	1367, 1489	48 (39)
CO-pASW	VH + H	1139, 1288	41 (33)
	VH + H + M	683, 1017	34 (28)

Notes. Minimum (min), average (avg) BE values and TPD peaks corresponding to the three truncated BE regimes: very high (VH), High (H) + VH and Medium (M) + H + VH. The heating rate used to obtain the simulated TPD trace is 0.3 K s⁻¹, and the pre-exponential factor v = 10¹² (9.14 × 10¹⁴) s⁻¹.

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