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

Nalaka Deepal Subasinghe, Nadeeshani Nanayakkara, Pavithra Bhakthi Jayathilaka, Gayani Chathurika Pathiraja, Athula Bandara
  • Canadian Journal of Chemistry, September 2014, Canadian Science Publishing
  • DOI: 10.1139/cjc-2014-0191

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http://dx.doi.org/10.1139/cjc-2014-0191