| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6660712 | The Journal of Chemical Thermodynamics | 2014 | 11 Pages |
Abstract
The importance of some stabilizing electronic interactions occurring in the title molecules has been studied and quantitatively evaluated through Natural Bonding Orbital (NBO) of the corresponding wavefunctions and their Nucleus Independent Chemical Shifts (NICS) parameters have been calculated in order to rationalize the effect of electronic delocalization upon stability.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Ana L.R. Silva, Manuel J.S. Monte, Victor M.F. Morais, Maria D.M.C. Ribeiro da Silva,