| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6310751 | Chemosphere | 2013 | 6 Pages |
Abstract
⺠We computed IR and Raman spectra of nitrophenanthrene and nitroanthracene isomers. ⺠We used DFT-B3LYP/6-31+G* level of calculation. ⺠We identified vibrational markers useful to distinguish the investigated isomers. ⺠Vibrational property/mutagenic activity relationships were determined.
Related Topics
Life Sciences
Environmental Science
Environmental Chemistry
Authors
Andrea Alparone, Vito Librando,