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

Yin Cangtao, Czakó Gábor
2022

Full-dimensional automated potential energy surface development and detailed dynamics for the CH₂OO + NH₃ reaction

Yin Cangtao, Czakó Gábor
2023

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

Yin Cangtao, Czakó Gábor
2023

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

Yin Cangtao, Czakó Gábor
2023

Theoretical vibrational mode-specific dynamics studies for the HBr + C2H5 reaction

Yin Cangtao, Czakó Gábor
2023

Revealing new pathways for the reaction of Criegee intermediate CH2OO with SO2

Yin Cangtao, Czakó Gábor
2024

Full-dimensional potential energy surface development and dynamics for the HBr + C2H5 → Br(2P3/2) + C2H6 reaction

Yin Cangtao, Tajti Viktor, Czakó Gábor
2022

First-principles mode-specific reaction dynamics

Czakó Gábor, Gruber Balázs, Papp Dóra, Tajti Viktor, Tasi Domonkos Attila, Yin Cangtao
2024