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- W1965868621 abstract "Quantum chemical calculations suggest that inverse sandwich compounds with the general formula MN7 M ′, where M is an alkali metal (K,Rb,Cs), N7 is a ten-π-electron ring, and M ′ is an alkaline-earth metal (Ca,Sr,Ba), are local C 7v minima. Among these systems, the CsN7Ba molecule is the stablest of all and presents a barrier of 35 kcal/mol to dissociation towards CsNBa and three N2 molecules. Substantial 5d character is found in the bonding. Possible ways of making these high-energy compounds are discussed." @default.
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- W1965868621 date "2003-10-01" @default.
- W1965868621 modified "2023-09-26" @default.
- W1965868621 title "Cesium and barium as honorary d elements: CsN 7 Ba as an example" @default.
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- W1965868621 doi "https://doi.org/10.1007/s00214-003-0485-8" @default.
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