Competition between the H-abstraction and the X-abstraction pathways in the HX (X = Br, I) + C 2 H 5 reactions

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 :
Bibliográfiai részletek
Szerzők: Yin Cangtao
Czakó Gábor
Dokumentumtípus: Cikk
Megjelent: 2023
Sorozat:PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25 No. 30
Tárgyszavak:
Kémiai tudományok
doi:10.1039/D3CP02492J

mtmt:34187109
Online Access:http://publicatio.bibl.u-szeged.hu/31848
Leíró adatok
Tartalmi kivonat: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.
Terjedelem/Fizikai jellemzők:20241-20249
ISSN:1463-9076

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