DFT Calculations of Cubane-Type Mo2Ru2S4Clusters. Stability of a Possible Dinitrogen Cluster and an Isolable Acetonitrile Cluster

Authors :: Naoki Kihara
Kazunari Yoshizawa
Yoshihito Shiota
Hidetake Seino
Yasushi Mizobe
Source :: Bulletin of the Chemical Society of Japan. 79:53-58
Publication Year :: 2006
Publisher :: The Chemical Society of Japan, 2006.
Abstract: The electronic properties of cubane-type mixed-metal sulfido clusters with an Mo(V)2Ru(II)2S4 core and possible dinitrogen activation on it are described from DFT computations. The cluster [(CpRu)2...

Subjects :: Crystallography
chemistry.chemical_compound
Chemistry
Computational chemistry
Cubane
Cluster (physics)
General Chemistry
Type (model theory)
Acetonitrile
Electronic properties

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