Effect of donor and acceptor groups on radical scavenging activity of phenol by density functional theory
Ground state geometries of Phenol, p-nitrophenol, p-fluorophenol, p-methylphenol, p-methoxyphenol, p-aminophenol, p-hydroxybenzonitrile, 1-(4-hydroxy-phenyl)-ethanone, p-hydroxybenzoic acid and p-dimethylaminophenol have been optimized by using the density functional theory (DFT) at four different l...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2017-05-01
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| Series: | Arabian Journal of Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1878535213001834 |