On the interaction of Mo and Mo2 with NH
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Corinne Lacaze-Dufaure; Tzonka Mineva; Nino Russo
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Article
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2001
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John Wiley and Sons
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English
⚖ 138 KB
## 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,