| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394033 | Computational and Theoretical Chemistry | 2013 | 8 Pages |
Abstract
Atrazine-(Ca2+)2 is studied in the gas phase as a starting point of a more challenging work on atrazine in soils. Interaction energies are rationalized in terms of electrostatic, polarization, charge transferâ¦Ca2+-Ca2+ repulsion inducing repulsive complexation energies will probably be balanced by dispersive effects when atrazine-(Ca2+)2 approaches a clay surface.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Fabienne Bessac, Sophie Hoyau,