Table 1 Single electron energy for each substance, and their energies upon binding with Al3+ and SDS (binding energies are listed in descending order).
From: Al2O3 porous ceramics with high strength by protein foaming method
Material | Material number | Electronic energy (a.u.) | Ionic bonding | Electronic energy (a.u.) | Hydrogen bonding | Electronic energy (a.u.) |
|---|---|---|---|---|---|---|
Al2O3 | 1 | / | / | / | / | / |
SDS | 2 | −1333.357255 | 1 + 2 | −3755.574324 | / | / |
(CH2)4NH3+ (Lys) | 3 | −496.864714 | 1 + 3 | −1731.458142 | 2 + 3 | −1830.248358 |
-CH2C6H6 (Phe) | 4 | −271.506972 | 1 + 4 | −1055.149718 | 2 + 4 | −1604.864988 |
CH2COO− (Asp) | 5 | −229.005625 | 1 + 5 | −927.843181 | 2 + 5 | −1562.417166 |
-CH(CH3)2 (Val) | 6 | −119.11849 | 1 + 6 | −597.960322 | 2 + 6 | −1452.477967 |
-CH2OH (Ser) | 7 | −115.679501 | 1 + 7 | −587.837052 | 2 + 7 | −1449.076475 |
