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Published in:
2008 | OriginalPaper | Chapter
Green Chemistry from Supercomputers: Car–Parrinello Simulations of Emim-Chloroaluminates Ionic Liquids
Authors : Barbara Kirchner, Ari P. Seitsonen
Published in: High Performance Computing in Science and Engineering `07
Publisher: Springer Berlin Heidelberg
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Ionic liquids (IL) or room temperature molten salts are alternatives to “more toxic” liquids [1]. Their solvent properties can be adjusted to the particular problem by combining the right cation with the right anion, which makes them designer liquids. Usually an ionic liquid is formed by an organic cation combined with an inorganic anion [2, 3]. Further discussions on the subject can be found in the following review articles [4–6].