Czakó Gábor; Gruber Balázs; Papp Dóra; Tajti Viktor; Tasi Domonkos Attila; Yin Cangtao:
First-principles mode-specific reaction dynamics.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 26 (22).
pp. 15818-15830.
ISSN 1463-9076
(2024)
Yin Cangtao; Czakó Gábor:
Revealing new pathways for the reaction of Criegee intermediate CH2OO with SO2.
COMMUNICATIONS CHEMISTRY, 7 (1).
ISSN 2399-3669
(2024)
Yin Cangtao; Czakó Gábor:
Competition between the H-abstraction and the X-abstraction pathways in the HX (X = Br, I) + C 2 H 5 reactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25 (30).
pp. 20241-20249.
ISSN 1463-9076
(2023)
Yin Cangtao; Czakó Gábor:
Full-dimensional automated potential energy surface development and detailed dynamics for the CH<sub>2</sub>OO + NH<sub>3</sub> reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25 (39).
pp. 26917-26922.
ISSN 1463-9076
(2023)
Yin Cangtao; Czakó Gábor:
Theoretical vibrational mode-specific dynamics studies for the HBr + C2H5 reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25 (4).
pp. 3083-3091.
ISSN 1463-9076
(2023)
Yin Cangtao; Czakó Gábor:
Vibrational mode-specific quasi-classical trajectory studies for the two-channel HI + C 2 H 5 reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25 (14).
pp. 9944-9951.
ISSN 1463-9076
(2023)
Yin Cangtao; Czakó Gábor:
Automated full-dimensional potential energy surface development and quasi-classical dynamics for the HI(X 1 Σ + ) + C 2 H 5 → I( 2 P 3/2 ) + C 2 H 6 reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 24 (47).
pp. 29084-29091.
ISSN 1463-9076
(2022)
Yin Cangtao; Tajti Viktor; Czakó Gábor:
Full-dimensional potential energy surface development and dynamics for the HBr + C2H5 → Br(2P3/2) + C2H6 reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 24 (40).
pp. 24784-24792.
ISSN 1463-9076
(2022)