| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384774 | Chemical Physics Letters | 2011 | 7 Pages |
Abstract
⺠Time-dependent density functional theory calculations of NEXAFS. ⺠Short-range corrected exchange-correlation functional gives accurate NEXAFS spectra. ⺠Greatest variation between α-helix and β-sheet at the nitrogen K-edge.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Matthew W. Buckley, Nicholas A. Besley,