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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

Dagmar Štellerová

Dagmar Štellerová

Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology in BratislavaBratislava, Slovakia
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Štellerová, Dagmar
 and 
Vladimír Lukeš

Vladimír Lukeš

Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology in BratislavaBratislava, Slovakia
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Lukeš, Vladimír
  
Feb 23, 2025
On the thermodynamics of homolytic C—H bond cleavage in linear and branched alkanes: Comparison of DFT and composite G4 and G4(MP2) methods's Cover Image
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Published Online: Feb 23, 2025
Page range: 1 - 7
DOI: https://doi.org/10.2478/acs-2025-0001
Keywords
© 2025 Dagmar Štellerová et al., published by Sciendo
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.
Štellerová, Dagmar
Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology in BratislavaBratislava, Slovakia
Lukeš, Vladimír
Institute of Physical Chemistry and Chemical Physics, Slovak University of Technology in BratislavaBratislava, Slovakia
Language:
English
Publication timeframe:
2 times per year
Journal Subjects:
Chemistry, Chemistry, other
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