| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5385102 | Chemical Physics Letters | 2010 | 6 Pages |
Abstract
⺠In XO, both overlapping and onion-like structures can be used. ⺠In XO, models can be treated at different or same level of theory at wish. ⺠XO is efficient in alleviating the ONIOM boundary errors. ⺠XO is robust, being less sensitive to the choice of the low level. ⺠XO provides more accurate geometries in a more effective way.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Wenping Guo, Anan Wu, Xin Xu,