Application of the modified Shepard interpolation method to the determination of the potential energy surface for a molecule-surface reaction: H2 + Pt(111)
We have used a modified Shepard (MS) interpolation method, initially developed for gas phase reactions, to build a potential energy surface (PES) for studying the dissociative chemisorption of H2 on Pt(111). The aim was to study the efficiency and the accuracy of this interpolation method for an act...
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| Veröffentlicht in: | The Journal of chemical physics 2004-02, Vol.120 (5), p.2392-2404 |
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| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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