𝔖 Bobbio Scriptorium
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Electronic structure and bonding of transition metal complexes MCO (MCu, Fe, Ti)

✍ Scribed by G. Berthier; A. Daoudi; M. Suard


Book ID
119117040
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
603 KB
Volume
179
Category
Article
ISSN
0166-1280

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✍ Ramon M. Sosa; Patricia Gardiol 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 1013 KB

Density functional theory (DFT) calculations of the electronic structure and properties of Fe, Ni, and Cu carbonyls with one and five transition-element atoms are reported, due to their importance in heterogeneous catalysis (especially in Fischer-Tropsch synthesis). The local density approximation (