| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374436 | Chemical Physics | 2012 | 7 Pages |
Abstract
⺠The grid based GEMS simulator accurately models small chemical systems. ⺠Q5Cost and D5Cost file formats provide interoperability in the workflow. ⺠Benchmark runs on H + H2 highlight the Grid empowering. ⺠O + O2 and N + N2 calculated k (T)'s fall within the error bars of the experiment.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
S. Rampino, A. Monari, E. Rossi, S. Evangelisti, A. Laganà ,