Ab initio thermochemistry and kinetics for carbon-centered radical addition and β-scission reactions

Journal of Physical Chemistry A

Volumn 111, Issue 34, 2007, Pages 8416-8428

  Sabbe, Maarten K ^a   Vandeputte, Aäron G ^a   Reyniers, Marie Françoise ^a   Van Speybroeck, Veronique ^a   Waroquier, Michel ^a   Marin, Guy B ^a  

^a GHENT UNIVERSITY   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON TUNNELING; FREE RADICALS; THERMOCHEMISTRY;

EQUILIBRIUM COEFFICIENT; HARMONIC OSCILLATOR APPROXIMATION; INTERNAL ROTATION; RATE COEFFICIENTS;

REACTION KINETICS;

EID: 34548585328     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp072897t     Document Type: Article

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