| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382855 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠Efficient QM/MM approach to analytical optimization of molecular crystal. ⺠SCF-charge distribution between QM and MM regions. ⺠Successful application to Pt molecular crystal including unusual hydrogen bond.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Shinji Aono, Shigeyoshi Sakaki,