Hydrogen abstraction from poly(propylene) and poly(propylene oxide) by hydroxyl radicals: A computational quantum semi-empirical study

Computational and Theoretical Polymer Science

Volumn 11, Issue 2, 2001, Pages 95-104

  Posada, F ^a   Malfreyt, P ^b   Gardette, J L ^a  

^a CNRS   (France)

^b UNIVERSITÉ CLERMONT AUVERGNE   (France)

Author keywords

Hydrogen abstraction; Hydroxyl radicals; Quantum semi empirical methods

Indexed keywords

ACTIVATION ENERGY; COMPUTATIONAL METHODS; HYDROGEN; POLYPROPYLENE OXIDES; QUANTUM THEORY; SUBSTRATES;

HYDROGEN ABSTRACTION; HYDROXY RADICALS; TRANSITION STATE;

POLYPROPYLENES;

ABSTRACTION; HYDROGEN; POLYPROPYLENE;

MATHEMATICAL ANALYSIS; MOLECULAR STRUCTURE; POLYPROPYLENE;

EID: 0033767876     PISSN: 10893156     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1089-3156(99)00090-2     Document Type: Article

References (27)