| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5418300 | Journal of Molecular Structure: THEOCHEM | 2006 | 8 Pages |
Abstract
Solvent effects are taken into account with the SCRF dielectric continuum model at the PM3 and (RHF/3-21G) levels of theory. This preliminary study shows that the complex formation is favored by the use of polar solvent.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
R. Ghailane, E. Perpète, X. Assfeld,