| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374091 | Chemical Physics | 2013 | 7 Pages |
Abstract
⺠The dimer model was built in order to estimate the interaction energy. ⺠Positive (repulsive) interaction energy was found based on the dimer model. ⺠Values of QTAIM parameters remain unchanged if CXâ¯OC fragment is embedded in a dimer. ⺠CT between X and O atoms is in opposite direction than in a halogen bond. ⺠X and O atoms are interacting with negative sites of MEP.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
MirosÅaw JabÅoÅski, Marcin Palusiak,