## Abstract The reactivity of Mo and Mo~2~ with ammonia, ethene, and propene molecules has been investigated by using Density Functional Theory. Different gradient‐corrected and hybrid exchange‐correlation functionals have been employed. Coordination modes, binding energies, geometrical structures,
✦ LIBER ✦
Interactions of H2 and NH3 with Mo(100) and Mo(100)−c(2×2)N surfaces
✍ Scribed by Reha Bafrali; Alexis T. Bell
- Publisher
- Elsevier Science
- Year
- 1992
- Weight
- 61 KB
- Volume
- 278
- Category
- Article
- ISSN
- 0167-2584
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