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Modeling the full monty: baring the nature of surfaces across time and space |
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| Authors: | Frank Starrost Emily A Carter |
| Affiliation: | aDepartment of Chemistry and Biochemistry, University of California, Box 951569, 405 Hilgard Avenue, Los Angeles, CA 90095-1569, USA |
| Abstract: | |
| Keywords: | Solid–gas interfaces Catalysis Growth Etching Ab initio quantum chemical methods and calculations Density functional calculations Molecular dynamics Monte Carlo simulations |
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