Competition between the H-abstraction and the X-abstraction pathways in the HX (X = Br, I) + C 2 H 5 reactions
The competition between the H-abstraction and X-abstraction pathways in the HX (X = Br, I) + C 2 H 5 reactions is investigated by quasi-classical trajectory simulations on new high-level full-dimensional spin–orbit-corrected potential energy surfaces.
Elmentve itt :
| Szerzők: | |
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| Dokumentumtípus: | Cikk |
| Megjelent: |
2023
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| Sorozat: | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
25 No. 30 |
| Tárgyszavak: | |
| doi: | 10.1039/D3CP02492J |
| mtmt: | 34187109 |
| Online Access: | http://publicatio.bibl.u-szeged.hu/31848 |
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| 100 | 1 | |a Yin Cangtao | |
| 245 | 1 | 0 | |a Competition between the H-abstraction and the X-abstraction pathways in the HX (X = Br, I) + C 2 H 5 reactions |h [elektronikus dokumentum] / |c Yin Cangtao |
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| 490 | 0 | |a PHYSICAL CHEMISTRY CHEMICAL PHYSICS |v 25 No. 30 | |
| 520 | 3 | |a The competition between the H-abstraction and X-abstraction pathways in the HX (X = Br, I) + C 2 H 5 reactions is investigated by quasi-classical trajectory simulations on new high-level full-dimensional spin–orbit-corrected potential energy surfaces. | |
| 650 | 4 | |a Kémiai tudományok | |
| 700 | 0 | 1 | |a Czakó Gábor |e aut |
| 856 | 4 | 0 | |u http://publicatio.bibl.u-szeged.hu/31848/1/PCCP_25_20241_2023.pdf |z Dokumentum-elérés |