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On the thermodynamics of homolytic C—H bond cleavage in linear and branched alkanes: Comparison of DFT and composite G4 and G4(MP2) methods Cover

On the thermodynamics of homolytic C—H bond cleavage in linear and branched alkanes: Comparison of DFT and composite G4 and G4(MP2) methods

Open Access
|Feb 2025

Authors

Dagmar Štellerová

dagmar.stellerova@stuba.sk

Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology in Bratislava, Bratislava, Slovakia

Vladimír Lukeš

Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology in Bratislava, Bratislava, Slovakia
DOI: https://doi.org/10.2478/acs-2025-0001 | Journal eISSN: 1339-3065 | Journal ISSN: 1337-978X
Language: English
Page range: 1 - 7
Published on: Feb 23, 2025
Published by: Slovak University of Technology in Bratislava
In partnership with: Paradigm Publishing Services
Publication frequency: 2 times per year
Related subjects:

© 2025 Dagmar Štellerová, Vladimír Lukeš, published by Slovak University of Technology in Bratislava
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.