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Potential dependence of vibrational frequencies of adsorbates on a silver electrode

✍ Scribed by R. Kötz; E. Yeager

Book ID
118532187
Publisher
Elsevier Science
Year
1981
Weight
610 KB
Volume
123
Category
Article
ISSN
0022-0728

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📜 SIMILAR VOLUMES

Computation of vibrational frequencies f
Computation of vibrational frequencies for adsorbates on surfaces
✍ John D. Head 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 209 KB 👁 2 views

A general strategy for computing the vibrational frequencies of adsorbates on surfaces is presented. Rather than use numerical fits to the surface energy, we advocate diagonalizing a mass weighted energy second-derivative matrix. The computation of energy derivatives has several advantages: It facil