| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383262 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠A partial geometry optimization was implemented at the FMO-MP2 level. ⺠TrpCage was employed as an illustrative test bed having dispersion type interactions. ⺠The optimized structure (red) agreed with the NMR structure (green) reasonably.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Takayuki Tsukamoto, Yuji Mochizuki, Naoki Watanabe, Kaori Fukuzawa, Tatsuya Nakano,