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Water adsorption on the NaCl surface

✍ Scribed by S. Fölsch; M. Henzler

Publisher
Elsevier Science
Year
1990
Weight
59 KB
Volume
247
Category
Article
ISSN
0167-2584

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📜 SIMILAR VOLUMES

Electrostatic model calculations on mult
Electrostatic model calculations on multiple adsorption at NaCl surfaces
✍ Karl Jug; André M. Schmidt; Heiko Gerwens 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 227 KB

A previously proposed electrostatic model for physisorption at ionic solids is extended to multiple adsorption of small molecules. A new algorithm is developed to avoid interpenetration of the interacting systems. The geometry optimization procedure is described. Ab initio calculations are used for