Rotational Mode-Specificity in the Cl + C2H6 -> HCl + C2H5 Reaction
We perform rotational mode-specific quasi-classical trajectory simulations using a high-quality ab initio analytical potential energy surface for the Cl(P-2(3/2)) + C2H6 -> HCl + C2H5 reaction. As ethane, being a prolate-type symmetric top, can be characterized by the J and K rotational quantum n...
Elmentve itt :
| Szerzők: | |
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| Dokumentumtípus: | Cikk |
| Megjelent: |
2022
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| Sorozat: | JOURNAL OF PHYSICAL CHEMISTRY A
126 No. 16 |
| Tárgyszavak: | |
| doi: | 10.1021/acs.jpca.2c01526 |
| mtmt: | 32969450 |
| Online Access: | http://publicatio.bibl.u-szeged.hu/24764 |