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A first principles molecular dynamics study of the fullerene derivative C119

✍ Scribed by Gary B. Adams; John B. Page; Michael O'Keeffe; Otto F. Sankey


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
373 KB
Volume
228
Category
Article
ISSN
0009-2614

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Electrolysis of Water in the Diffusion L
✍ M.β€…Sc. Florian Hofbauer; Prof.β€…Dr. Irmgard Frank πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 669 KB

## Abstract With Car–Parrinello molecular dynamics simulations the elementary reaction steps of the electrolysis of bulk water are investigated. To simulate the reactions occurring near the anode and near the cathode, electrons are removed or added, respectively. The study focuses on the reactions