| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394767 | Computational and Theoretical Chemistry | 2012 | 8 Pages |
Abstract
⺠Potential models for aqueous halide ions. ⺠Models obtained from first principles through force-matching of CPMD data. ⺠RDF of CPMD simulations reproduced with Lennard-Jones potentials.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Daniel Spångberg, Elvira Guà rdia, Marco Masia,