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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

Acta Chimica Slovaca
Volume 18 (2025): Issue 1 (January 2025)
By: Dagmar Štellerová and  Vladimír Lukeš  
Open Access
|Feb 2025
DOI: https://doi.org/10.2478/acs-2025-0001 | Journal eISSN: 1339-3065 | Journal ISSN: 1337-978X
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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 issues per year
Keywords:
alkanes,
chemical accuracy,
DFT,
G4(MP2),
radical mechanism
Related subjects:
Chemistry,
Chemistry, other

© 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.

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