Name
Title | ||
|---|---|---|
Study of the water behavior into a ferrierite zeolite by molecular dynamics simulations |
Abstract | ||
|---|---|---|
In this contribution, we present molecular dynamics (MD) simulations of water inside a ferrierite type framework. We stress the importance of introducing the long-range electrostatic contribution to the chosen adsorbate-adsorbent interaction potential, and present various thermodynamical, structural and dynamical results obtained from the analyses of the MD trajectories. |
Year | DOI | Venue |
|---|---|---|
1991 | 10.1016/0097-8485(91)80016-F | Computers & Chemistry |
Field | DocType | Volume |
Chemical physics,Zeolite,Computational chemistry,Chemistry,Ferrierite,Molecular dynamics,Genetics | Journal | 15 |
Issue | ISSN | Citations |
3 | 0097-8485 | 0 |
PageRank | References | Authors |
0.34 | 0 | 4 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Laurence Leherte | 1 | 20 | 6.75 |
| Jean-Marie Andre | 2 | 0 | 0.34 |
| Eric G. Derouane | 3 | 0 | 0.34 |
| Daniel P Vercauteren | 4 | 15 | 6.86 |