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Springer Publishing Company

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Improvement of the Optoelectronic Properties of Organic Molecules for Nanoelectronics and Solar Cells Applications: via DFT-B3LYP Investigations

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Canadian Journal of Chemistry, Vol. 91, Iss. 6, 2013-03 ,pp. : 457-464

NRC Research Press

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Theoretical study of phenol and hydroxyl radical reaction mechanism in aqueous medium by the DFT/B3LYP/6-31+G(d,p)/CPCM model

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