| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5385100 | Chemical Physics Letters | 2010 | 6 Pages |
Abstract
⺠Study of the linear response function, a fundamental quantity in conceptual DFT and second order functional derivative with respect to the external potential. ⺠Calculation of this linear response kernel through an easily applicable and accurate methodology. ⺠First sound interpretation of this quantity. It has been proposed as a measure of electron delocalisation and differentiates between inductive, resonance and hyperconjugation effects. ⺠Link to future research concerning aromaticity.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Nick Sablon, Frank De Proft, Paul Geerlings,