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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Canadian Journal of Chemistry, Vol. 92, Iss. 9, 2014-01 ,pp. : 809-813

NRC Research Press

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Synthesis and Antifungal Activity against Fusarium oxysporum of Some Brassinin Analogs Derived from l-tryptophan: A DFT/B3LYP Study on the Reaction Mechanism

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Molecules, Vol. 21, Iss. 10, 2016-10 ,pp. : 1349-1349

MDPI

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DFT(B3LYP) calculations of silatranes and their radical cations. First ionization potentials

By Belyaeva V.   Frolov Yu.   Voronkov M.  

Journal of Structural Chemistry, Vol. 46, Iss. 6, 2005-11 ,pp. : 1072-1076

Springer Publishing Company

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Comparative study of DFT/B3LYP, B3PW91, and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone

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Canadian Journal of Chemistry, Vol. 93, Iss. 10, 2015-01 ,pp. : 1147-1156

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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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Current Physical Chemistry, Vol. 7, Iss. 1, 2017-08 ,pp. : 39-46

Bentham Science Publishers

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