| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5387136 | Chemical Physics Letters | 2008 | 5 Pages |
Abstract
Temporary anion energies of BDT are combined with computed orbital energies to show that HOMO-LUMO gaps are substantially underestimated using DFT.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
A.M. Scheer, G.A. Gallup, P.D. Burrow,