| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383153 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠We study reactivity properties of dicarba-closo-dodecarboranes isomers. ⺠We calculated reactivity indexes in gas phase and in solution. ⺠We used explicit molecules (S-MC/QM) and continuum model (PCM) to include the solvent in calculations.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
G.M.A. Junqueira, L.C. Rocha, V.T. Cotta, E.T. César,