The oxidation of nickel single crystals is investigated by using variable charge molecular dynamics. The simulations are performed on three nickel low-index surfaces ((1 0 0), (1 1 0) and (1 1 1)) at temperatures between 300 K and 950 K. The results show that the shape of the oxidation kinetics is i
Initial stages of electrophilic substitution studied with quantum molecular dynamics
✍ Scribed by Brandoch Calef; Antonio Redondo
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 813 KB
- Volume
- 223
- Category
- Article
- ISSN
- 0009-2614
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