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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)
Czakó Gábor; Győri Tibor; Olasz Balázs; Papp Dóra; Szabó István; Tajti Viktor; Tasi Domonkos Attilaó:
Benchmark ab initio and dynamical characterization of the stationary points of reactive atom + alkane and S N 2 potential energy surfaces.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22 (8).
pp. 4298-4312.
ISSN 1463-9076
(2020)
Tasi Domonkos Attilaó; Győri Tibor; Czakó Gábor:
On the development of a gold-standard potential energy surface for the OH − + CH 3 I reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22 (7).
pp. 3775-3778.
ISSN 1463-9076
(2020)