| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384275 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠Chemical-intuition based molecular-orbital localization scheme for peptide molecules. ⺠Minimum orbital deformation and population localization methods are combined. ⺠The LMO transformation simplifies excited-state wave functions.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Jun-ya Hasegawa, Tsutomu Kawatsu, Kazuo Toyota, Kenji Matsuda,