Thermal unimolecular decomposition mechanism of 2,4,6-trinitrotoluene: a first-principles DFT study.
| Autor: | Xiao-Fang Chen1, Ji-Feng Liu1, Zi-Hui Meng2, Ke-Li Han1 klhan@dicp.ac.cn |
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| Zdroj: | Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Nov2010, Vol. 127 Issue 4, p327-344. 18p. 6 Diagrams, 3 Charts, 10 Graphs. |
| Databáze: | Academic Search Ultimate |
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