| Revision: | 4227 |
| Committed: | Wed Oct 22 18:49:24 2014 UTC (10 years, 9 months ago) by jmichalk |
| File size: | 825 byte(s) |
| Log Message: | Joseph: Starting my paper on Pd and Pt 557 surfaces |
| # | Content |
|---|---|
| 1 | \contentsline {table}{\numberline {1}{\ignorespaces Positions, Lennard-Jones parameters ($\sigma $ and $\epsilon $), and charges for the CO-CO interactions in Ref.\bibpunct {}{}{,}{n}{}{,} \cite {Straub}. Distances are in \r A, energies are in kcal/mol, and charges are in atomic units.\relax }}{33} |
| 2 | \contentsline {table}{\numberline {2}{\ignorespaces Best fit parameters for metal-CO cross-interactions. Metal-C interactions are modeled with Lennard-Jones potentials. While the metal-O interactions were fit to Morse potentials. Distances are given in \r A\nobreakspace {}and energies in kcal/mol. \relax }}{34} |
| 3 | \contentsline {table}{\numberline {3}{\ignorespaces Adsorption energies for a single CO at the atop site on M(111) at the atop site using the potentials described in this work. All values are in eV.\relax }}{35} |