Formation of the glycine isomer glycolamide (NH2C(O)CH2OH) on the surfaces of interstellar ice grains: Insights from atomistic simulations

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Table 2

Adsorption of H₂CO and NH₂CO^• on the W18 cluster.

H₂CO			NH₂CO^•
Binding Site^(a)	ΔE	BE	Binding Site^(a)	ΔE	BE
19a	−27.1	15.7	19a	−39.0	33.6
19b	−27.2	16.5	19b	−44.5	36.9
32a	−30.1	23.2	32a	−48.5	41.3
32b	−30.9	22.0	32b	−50.0	43.7
32c	−32.0	25.7	32c	−60.9	51.8
34a	−26.5	19.5	34a	−27.5	21.7
34b	−31.8	25.8	34b	−38.8	33.0
			34c	−48.6	40.9
40a	−39.8	27.1	40a	−46.2	39.8
			40b	−47.6	41.2
			40c	−44.2	38.0
46a	−31.6	24.2	46a	−53.5	47.0
46b	−30.4	23.8	46b	−47.5	39.4
46c	−34.0	23.8
52a	−31.8	21.2	52a	−50.6	42.6
			52b	−48.7	40.8
			52c	−49.8	40.6

Notes. Interaction energies (ΔE) and ZPE-corrected binding energies (BE) are given in kJ mol⁻¹. The geometries of the different adsorption complexes are available in the Appendix. ^(a)The labels a, b, and c refer to different adsorption complexes obtained at the same binding site.

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