TABLE II.
Potential parameters.
| Interaction site | q/e | (kJ/mol) | () |
|---|---|---|---|
| Ow | −0.8476 | 0.650 | 3.166 |
| Hw | 0.4238 | … | … |
| Si | 1.28 | … | … |
| OSi | −0.64 | 1.912 | 2.700 |
| OOH | −0.74 | 1.912 | 3.000 |
| HOH | 0.42 | … | … |
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