| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5386318 | Chemical Physics Letters | 2009 | 5 Pages |
Abstract
Molecular orbitals spreading over a large biomolecule are quantitatively reproduced by the present method (FMO-LCMO) from the molecular orbitals of its fragments.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Shinji Tsuneyuki, Tomoki Kobori, Kazuto Akagi, Keitaro Sodeyama, Kiyoyuki Terakura, Hidetoshi Fukuyama,