| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389289 | Chemical Physics Letters | 2007 | 7 Pages |
Abstract
Using larger basis sets on the 1° region (atoms in boxes) than on the rest of the molecule improves predicted H-bond strengths.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Erin R. Johnson, Daniel J.J. McKay, Gino A. DiLabio,