Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5376528 | Chemical Physics | 2007 | 8 Pages |
Abstract
The present study demonstrates the ability of rapid semiempirical calculations carried out on the neutral molecules to parallel the experimental IE and EA values of PAHs, and provides simple linear equations which can be routinely employed for their quantitative prediction in this class of compounds.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Alberto Modelli, Laura Mussoni,