Nacsa András Bence; Tokaji Csenge; Czakó Gábor:
High-level analytical potential-energy-surface-based dynamics of the OH- + CH3CH2Cl SN2 and E2 reactions in full (24) dimensions.
FARADAY DISCUSSIONS, 251.
pp. 604-621.
ISSN 1359-6640
(2024)
Tasi Domonkos Attilaó; Tokaji Csenge; Czakó Gábor:
A benchmark ab initio study of the complex potential energy surfaces of the OH- + CH3CH2Y [Y = F, Cl, Br, I] reactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 23 (24).
pp. 13526-13534.
ISSN 1463-9076
(2021)