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Realistic systems part2 (PDF 9p)

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Realistic systems part2 (PDF 9p)

Realistic systems part2 (PDF 9p)

This note explains the following topics: Thin oxide films , Optimized adsorption geometries , Optimized transition states, Potential energy diagram, Pd versus Ni.

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s9 Pages

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Realistic systems part1(PDF 32p)

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This note explains the following topics: d-band model, BEP line, Sabatier's principle, Volcano curve, Temperature and pressure gaps, Compensation effect and Lateral interactions.

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