Szerző: " Gruber Balázs"

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)

Gruber Balázs; Czakó Gábor: High-level ab initio characterization of the OH + CH3NH2 reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 26 (45). pp. 28543-28553. ISSN 1463-9076 (2024)

Gruber Balázs; Czakó Gábor: High-level ab initio mapping of the multiple H-abstraction pathways of the OH + glycine reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25 (6). pp. 5271-5281. ISSN 1463-9076 (2023)

Gruber Balázs; Tajti Viktor; Czakó Gábor: Vibrational Mode-Specific Dynamics of the OH + C 2 H 6 Reaction.
JOURNAL OF PHYSICAL CHEMISTRY A, 127 (35). pp. 7364-7372. ISSN 1089-5639 (2023)

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)