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Correction: High-level ab initio characterization of the OH + CH3NH2 reaction

Balázs Gruber and Gábor Czakó *
MTA-SZTE Lendület “Momentum” Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged H-6720, Hungary. E-mail: gczako@chem.u-szeged.hu

Received 19th March 2025 , Accepted 19th March 2025

First published on 31st March 2025


Abstract

Correction for ‘High-level ab initio characterization of the OH + CH3NH2 reaction’ by Balázs Gruber et al., Phys. Chem. Chem. Phys., 2024, 26, 28543–28553, https://doi.org/10.1039/d4cp01470g.


After publication of our paper1 on the benchmark ab initio stationary-point characterization of the OH + CH3NH2 reaction, a relevant reference2 came to our attention, which studied the same system with combined experimental and theoretical methods. The focus of the two studies was different, as ref. 1 provided a high-level ab initio description of the title reaction revealing new pathways leading to H atom as well as CH3 and NH2 radical formation, whereas ref. 2 reported a detailed kinetics investigation for the major H-abstraction channels. In the case of the H-abstraction processes, ref. 1 confirms and shows the uncertainty of the lower-level energy predictions of ref. 2. The two studies support and complement each other; thus, the interested reader may consult with both ref. 1 and 2 to get a more complete picture on the kinetics and mechanisms of the title reaction.

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

References

  1. B. Gruber and G. Czakó, Phys. Chem. Chem. Phys., 2024, 26, 28543 RSC.
  2. D. González, A. Lema-Saavedra, S. Espinosa, E. Martínez-Núñez, A. Fernández-Ramos, A. Canosa, B. Ballesteros and E. Jiménez, Phys. Chem. Chem. Phys., 2022, 24, 23593 RSC.

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