| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382804 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠We studied the BSSE of six hydrogen-bonded trimers using the CP approach. ⺠Two types of CP corrections were employed to examine the geometrical changes. ⺠Unusual structural changes were explained based on two opposing effects. ⺠Effects of angle strain and ghost orbitals depend on the methods and basis set.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Chang Kon Kim, Jongok Won, Chan Kyung Kim,