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• W2032572914 abstract "The energy landscapes of isoelectronic zeolitic imidazolate frameworks (ZIFs)—Zn(2-fluoroimidazolate)2 and Zn(2-methylimidazolate)2—were studied by density-functional-theory total energy calculations. The incorporation of the methyl-group was shown to make the system highly polymorphic in contrast to the fluoro-group which selects at most three favourable framework types. The inter-ligand interactions are discussed as a key to target a particular network topology. The importance of dense network types (zni and coi) in ZIF systems is emphasized." @default.
• W2032572914 created "2016-06-24" @default.
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• W2032572914 creator A5080940186 @default.
• W2032572914 date "2012-01-01" @default.
• W2032572914 modified "2023-10-01" @default.
• W2032572914 title "The energy landscapes of zeolitic imidazolate frameworks (ZIFs): towards quantifying the presence of substituents on the imidazole ring" @default.
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• W2032572914 doi "https://doi.org/10.1039/c2jm15629f" @default.
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