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Gruber Balázs; Tajti Viktor; Czakó Gábor:
Full-dimensional automated potential energy surface development and dynamics for the OH + C 2 H 6 reaction.
JOURNAL OF CHEMICAL PHYSICS, 157 (7).
ISSN 0021-9606
(2022)
Gruber Balázs; Czakó Gábor:
Benchmarkab initiocharacterization of the abstraction and substitution pathways of the OH + CH4/C(2)H(6)reactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22 (26).
pp. 14560-14569.
ISSN 1463-9076
(2020)
Papp Dóra; Gruber Balázs; Czakó Gábor:
Detailed benchmark ab initio mapping of the potential energy surfaces of the X + C2H6 [X = F, Cl, Br, I] reactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21 (1).
pp. 396-408.
ISSN 1463-9076
(2019)