Solvent effects on the antioxidant activity of 3,4-dihydroxyphenylpyruvic acid: DFT and TD-DFT studies

Computational and Theoretical Chemistry

Volumn 966, Issue 1-3, 2011, Pages 232-243

  Fifen, J J ^a,d   Nsangou, M ^a,b   Dhaouadi, Z ^c   Motapon, O ^d   Jaidane, N ^c  

^a UNIVERSITY OF NGAOUNDERE   (Cameroon)

^b UNIVERSITY OF MAROUA   (Cameroon)

^c FACULTÉ DES SCIENCES DE TUNIS   (Tunisia)

^d UNIVERSITY OF YAOUNDÉ I   (Cameroon)

Author keywords

3,4 Dihydroxyphenylpyruvic acid; Dft; Hydrogen atom transfer; PCM and hybrid solvation; Proton transfer; Td dft

Indexed keywords

EID: 84961982757     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.03.006     Document Type: Article

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