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Table 1 EEM parameters as derived to reproduce peptide MKS charge distributions

From: A computational chemical study of penetration and displacement of water films near mineral surfaces

Atom type

Electronegativity, γ/eV

Hardness, η/eV

H

3.2

14.5

C

6.2

8.4

N

5.6

9.5

0

8.5

9.5