| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394461 | Computational and Theoretical Chemistry | 2012 | 16 Pages |
Abstract
⺠The reduced density gradient (RDG) is used to study non-covalent interactions (NCIs). ⺠X-ray vs Independent Atom Model (IAM) charge density NCI pictures are contrasted. ⺠The two pictures generally reveal the presence of the same interactions. ⺠NCI information at the IAM level is much less detailed and chemically meaningful. ⺠Use of the simpler RDG-IAM approach to study NCI in complex systems is questioned.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Gabriele Saleh, Carlo Gatti, Leonardo Lo Presti,