Vibrational mode-specific quasi-classical trajectory studies for the two-channel HI + C 2 H 5 reaction

Vibrational mode-specific quasi-classical trajectory studies for the two-channel HI + C 2 H 5 reaction

We report a detailed quasi-classical trajectory mode-specific dynamics study on a recently-developed high-level spin–orbit-corrected full-dimensional analytical ab initio potential energy surface of the HI + C 2 H 5 two-channel reaction.

Elmentve itt :
Bibliográfiai részletek
Szerzők: Yin Cangtao
Czakó Gábor
Dokumentumtípus: Cikk
Megjelent: 2023
Sorozat:PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25 No. 14
Tárgyszavak:
Kémiai tudományok
doi:10.1039/D2CP05993B

mtmt:33787906
Online Access:http://publicatio.bibl.u-szeged.hu/31852
Leíró adatok
Tartalmi kivonat:We report a detailed quasi-classical trajectory mode-specific dynamics study on a recently-developed high-level spin–orbit-corrected full-dimensional analytical ab initio potential energy surface of the HI + C 2 H 5 two-channel reaction.
Terjedelem/Fizikai jellemzők:9944-9951
ISSN:1463-9076

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