| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384564 | Chemical Physics Letters | 2011 | 7 Pages |
Abstract
âºA new transferable intermolecular electrostatic model for PAH molecules. ⺠Based on physically significant quadrupole interactions. ⺠Resulting model is an order of magnitude more accurate the previous models. ⺠Rapid evaluation time is a significant benefit over ab initio models.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Tim S. Totton, Alston J. Misquitta, Markus Kraft,