Full-dimensional potential energy surface development and dynamics for the HBr + C2H5 → Br(2P3/2) + C2H6 reaction
We report a full-dimensional spin-orbit-corrected analytical potential energy surface (PES) for the HBr + C2H5 → Br + C2H6 reaction and a quasi-classical dynamics study on the new PES. For...
Elmentve itt :
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| Dokumentumtípus: | Cikk |
| Megjelent: |
2022
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| Sorozat: | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
24 No. 40 |
| Tárgyszavak: | |
| doi: | 10.1039/D2CP03580D |
| mtmt: | 33119398 |
| Online Access: | http://publicatio.bibl.u-szeged.hu/25726 |
| Tartalmi kivonat: | We report a full-dimensional spin-orbit-corrected analytical potential energy surface (PES) for the HBr + C2H5 → Br + C2H6 reaction and a quasi-classical dynamics study on the new PES. For... |
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| Terjedelem/Fizikai jellemzők: | 24784-24792 |
| ISSN: | 1463-9076 |