The electron-impact ionization cross sections of atoms and molecuels are calculated by Binary-Encounter-Bethe (BEB), Deutsch-Märk (DM), and combined methods.
| Species | Ionization energy (eV) | |||
|---|---|---|---|---|
| DFT | EPT | CBS-QB3 | Exp. | |
| C4H6 | 7.092 | 9.642 | 9.509 | 9.43 |
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