| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5390173 | Chemical Physics Letters | 2006 | 5 Pages |
Abstract
We report the first direct simulation of an excess hydrated electron confined in a zeolite nanopore by means of mixed quantum-classical molecular dynamics. The electron absorption spectrum is compared to experimental results. A prediction for the diffusion coefficient of the confined hydrated electron is provided.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
François-Xavier Coudert, Anne Boutin,