A DFT study of the hydrogen atom abstraction from 2,4,6-trimethylheptane: A model of peroxidic degradation for syndio polypropylene

Journal of Molecular Structure: THEOCHEM

Volumn 811, Issue 1-3, 2007, Pages 255-266

  Bertin, Denis ^a   Grimaldi, Sandra ^b   Leblanc, Marie ^a   Marque, Sylvain R A ^a   Siri, Didier ^a   Tordo, Paul ^a  

^a AIX MARSEILLE UNIVERSITY   (France)

^b ARKEMA   (France)

Author keywords

DFT; H atom abstraction; Kinetic calculations; Polypropylene

Indexed keywords

EID: 34248200492     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.03.008     Document Type: Article

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