All issues Volume 72 / No 3 (May–June 2017) Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles, 72 3 (2017) 17 Full HTMLBonded parameters for the components of our simulation systems: bonds.
| Bond | kr (kcal/mol. Å2) | r0 (Å) |
|---|---|---|
| Si–OSiE | 302.0000 | 1.6980 |
| Si–OSiH | 325.0000 | 1.6800 |
| OSiH–HSiO | 566.0000 | 0.9750 |
| OSiH–C | 363.2140 | 1.4150 |
| C–F | 432.5890 | 1.3400 |
| C–C | 224.3212 | 1.5250 |
| OT–HT | 450.0000 | 0.9572 |
| CM–CE | 222.5000 | 1.5300 |
| CM–CM | 222.5000 | 1.5280 |
| CM–HM | 309.0000 | 1.1110 |
| CE–HE | 322.0000 | 1.1110 |
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