DFT study of the structure of hydroxybenzoic acids and their reactions with {radical dot}OH and {radical dot} O2 - radicals

Journal of Molecular Structure: THEOCHEM

Volumn 850, Issue 1-3, 2008, Pages 135-143

  Nsangou, M ^a   Dhaouadi, Z ^b   Jaidane, N ^b   Ben Lakhdar, Z ^b  

^a UNIVERSITY OF NGAOUNDERE   (Cameroon)

^b FACULTÉ DES SCIENCES DE TUNIS   (Tunisia)

Author keywords

3,4,5 Trihydroxybenzoic acid; 3,4 Dihydroxybenzoic acid; 4 Hydroxybenzoic acid; 6 31++G(d); B3LYP; DFT; NBO; Proton transfer; Radicals

Indexed keywords

EID: 38149030063     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.10.032     Document Type: Article

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