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Volumn 965, Issue 1, 2011, Pages 114-122

DFT/B3LYP study of the substituent effects on O-H bond dissociation enthalpies of chroman derivatives in the gas phase and solvent environment

(5) Najafi, Meysam a Nazarparvar, Elyas a Mood, Kaveh Haghighi a Zahedi, Mansour a Klein, Erik b

a SHAHID BEHESHTI UNIVERSITY (Iran)

b SLOVAK UNIVERSITY OF TECHNOLOGY (Slovakia)

Author keywords

Antioxidant; Bde; Dft; HAT mechanism; Substituent effect; Tocopherol

Indexed keywords

EID: 84961977052 PISSN: 2210271X EISSN: None Source Type: Journal
DOI: 10.1016/j.comptc.2011.01.035 Document Type: Article

Times cited : (35)

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