| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389640 | Chemical Physics Letters | 2006 | 6 Pages |
Abstract
Electropilicities defined within the spin-polarized density functional theory are valuable for characterization of global and local reactivity of halogen-substituted silylenes. For instance, the singlet-triplet vertical energy gap ÎEsâtv, is linearly related to the philicity for spin polarization ÏS+. Such agreement is remarkable because the simplicity of associated spin potentials.
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Authors
E. Chamorro, J.C. Santos, C.A. Escobar, P. Pérez,