| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382525 | Chemical Physics Letters | 2013 | 40 Pages |
Abstract
⺠The performance of the LRD method in open-shell systems was assessed. ⺠The dispersion coefficient and atomic polarizability of LRD behaved reasonably. ⺠LC-BOP + LRD reproduced interaction energies of open-shell vdW complexes. ⺠LC-BOP + LRD reproduced magnetic coupling constants of radical dimers.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yasuhiro Ikabata, Hiromi Nakai,