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- W3130153267 abstract "Ionic liquids are a class of novel compounds typically composed of organic cations and inorganic or organic anions with melting point less than 100°C. The number of possible combinations of cations and anions was estimated to be at the level of 1018, and such a great diversity makes it possible to design a structure that will provide optimum properties for very specific purposes. This makes computational methods a prime solution provider for selecting an IL for a specific property/application from this pool of ion pairs. Theoretical calculations were used to predict molecular structure and interactions present in room temperature ILs. Among various ILs in use, the 1,3-dialkylimidazolium class of ionic liquids is the most studied. This chapter gives an outline of electronic structure and topology analysis of 1, 3-dialkylimidazolium-based ILs." @default.
- W3130153267 created "2021-03-01" @default.
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- W3130153267 date "2021-01-01" @default.
- W3130153267 modified "2023-09-23" @default.
- W3130153267 title "Electronic structure and topological analysis of ionic liquids" @default.
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- W3130153267 doi "https://doi.org/10.1016/b978-0-12-820280-7.00002-4" @default.
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