Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5386990 | Chemical Physics Letters | 2009 | 5 Pages |
Abstract
Molecular descriptors issued from conceptual DFT have been used in the framework of a QSPR approach for the decomposition enthalpy of selected nitroaromatic compounds.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Guillaume Fayet, Laurent Joubert, Patricia Rotureau, Carlo Adamo,