Bridging Hydroxyl Groups in Faujasite: Periodic vs Cluster Density Functional Calculations

Relationship Between the Nearest-Neighbo

Relationship Between the Nearest-Neighbor Exchange Coupling Constants and the Number of Exchange Interactions in the Cyano-Bridged MnMo6(CN)18 Cluster: Density Functional Theory Calculations

✍ Yi-Quan Zhang; Cheng-Lin Luo 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 200 KB 👁 1 views

## Abstract A theoretical density functional study of the relationship between the nearest‐neighbor MnMo constants and the number of exchange interactions in the cyano‐bridged K[(Me~3~tacn)~6~MnMo~6~(CN)~18~](ClO~4~)~3~ cluster is presented. Two approaches (the first approach consisted of evaluatin