| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394220 | Computational and Theoretical Chemistry | 2013 | 7 Pages |
Abstract
⺠Formation enthalpies of 27 mono substituted nitrobenzenes were calculated using DFT-based and composite techniques. ⺠Comparison of calculated ÎfH0,298 values with available experimental estimations has been carried out. ⺠Enthalpies of formation have been obtained using atomization approach and isodesmic reactions.
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Physical and Theoretical Chemistry
Authors
G.M. Khrapkovskii, D.D. Sharipov, A.G. Shamov, D.L. Egorov, D.V. Chachkov, R.V. Tsyshevsky,