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Table 3

Views of the geometry of the adsorbed CHON molecules on silica.

(0001) surface (100) surface

HCNO HCNO

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Eads(HCNO) = 0.13 eV Eads(HCNO) = 0.16 eV
3.0 kcal/mol 3.7 kcal/mol

HNCO HNCO

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Eads(HNCO) = 0.24 eV Eads(HNCO) = 0.24 eV
5.5 kcal/mol 5.5 kcal/mol

HOCN HOCN

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Eads(HOCN) = 0.44 eV Eads(HOCN) = 0.62 eV
10.1 kcal/mol 14.3 kcal/mol

HONC HONC

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Eads(HONC) = 0.40 eV Eads(HONC) = 0.55 eV
9.2 kcal/mol 12.7 kcal/mol

Notes.Adsorption energies Eads are given in eV and kcal/mol.

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