Hydrogen abstraction from biphenyl, acenaphthylene, naphthalene and phenanthrene by atomic hydrogen and methyl radical: DFT and G3(MP2)-RAD data

Journal of Molecular Structure: THEOCHEM

Volumn 940, Issue 1-3, 2010, Pages 115-118

  Carissan, Yannick ^a   Klopper, Wim ^b  

^a AIX MARSEILLE UNIVERSITY   (France)

^b UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

Density functional theory (DFT); G3(MP2) RAD; Polycyclic aromatic hydrocarbons (PAH)

Indexed keywords

EID: 72049110203     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.10.017     Document Type: Article

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