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A localized molecular orbital study on the bonding of > Mo3S4]2Mo >8+ and > Mo3S4]CuI >4+ versus (C6H6)2Cr and C6H6Cr(CO)3

✍ Scribed by Chen Zhi-da; Lu Jia-xi; Liu Chun-wan; Zhang Qian-er


Book ID
113257179
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
922 KB
Volume
236
Category
Article
ISSN
0166-1280

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On the interaction of Mo and Mo2 with NH
✍ Corinne Lacaze-Dufaure; Tzonka Mineva; Nino Russo 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 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,