1.Torrecilla, J.S., Deetlefs, M., Seddon, K.R. and Rodríguez, F., "Estimation of ternary liquid-liquid equilibria for arene/alkane/ionic liquid mixtures using neural networks", Phys. Chem. Chem. Phys., 10, 5114-5120 (2008).
2. Jacquemin, J., Ge, R., Nancarrow, P., Rooney, D.W., Costa Gomes, M.F., Padua, A.A.H. and Hardacre, C., "Prediction of Ionic Liquid Properties. I. Volumetric Properties as a Function of Temperature at 0.1 MPa", J. Chem. Eng. Data, 53, 716-726 (2008).
3. Jacquemin, J., Nancarrow, P., Rooney, D.W., Costa Gomes, M.F., Husson, P., Majer, V., Padua, A.A.H. and Hardacre, C., "Prediction of ionic liquid properties. II. Volumetric properties as a function of temperature and pressure", J. Chem. Eng. Data, 53, 2133-2143 (2008).
4. Hardacre, C., Holbrey, J.D., Mullan, C.L., Nieuwenhuyzen, M., Youngs, T.G.A. and Bowron, D.T., "Liquid Structure of the Ionic Liquid, 1-Methyl-4-cyanopyridinium Bis{(trifluoromethyl)sulfonyl}imide Determined from Neutron Scattering and Molecular Dynamics Simulations", J. Phys. Chem. B, 112, 8049-8056 (2008).
5. Youngs, T.G.A., Hardacre, C. and Holbrey, J.D., "Glucose Solvation by the Ionic Liquid 1,3-Dimethylimidazolium Chloride: A Simulation Study", J. Phys. Chem. B, 111, 13765-13774 (2007).
6. Lynden-Bell, R.M., Del Popolo, M.G., Youngs, T.G.A., Kohanoff, J., Hanke, C.G., Harper, J.B. and Pinilla, C.C., "Simulations of Ionic Liquids, Solutions, and Surfaces", Acc. Chem. Res., 40, 1138-1145 (2007).
7. Reichert, W.M., Holbrey, J.D., Swatloski, R.P., Gutowski, K.E., Visser, A.E., Nieuwenhuyzen, M., Seddon, K.R. and Rogers, R.D., "Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses", Cryst. Growth Des., 7, 1106-1114 (2007).
8. Pinilla, C., Del Popolo, M.G., Kohanoff, J. and Lynden-Bell, R.M., "Polarization Relaxation in an Ionic Liquid Confined between Electrified Walls", J. Phys. Chem. B, 111, 4877-4884 (2007).
9. Lopez-Martin, I., Burello, E., Davey, P.N., Seddon, K.R. and Rothenberg, G., "Anion and cation effects on imidazolium salt melting points: a descriptor modelling study", ChemPhysChem, 8, 690-695 (2007).
10. Del Popolo, M.G., Pinilla, C. and Ballone, P., "Local and semilocal density functional computations for crystals of 1-alkyl-3-methyl-imidazolium salts", J. Chem. Phys., 126, 144705 (2007).
11. Del Popolo, M.G., Kohanoff, J., Lynden-Bell, R.M. and Pinilla, C., "Clusters, Liquids, and Crystals of Dialkyimidazolium Salts. A Combined Perspective from ab Initio and Classical Computer Simulations", Acc. Chem. Res., 40, 1156-1164 (2007).
12. Hong, G., Jacquemin, J., Deetlefs, M., Hardacre, C., Husson, P. and Costa Gomes, M.F., "Solubility of carbon dioxide and ethane in three ionic liquids based on the bis{(trifluoromethyl)sulfonyl}imide anion", Fluid Phase Equilib., 257, 27-34 (2007).
13. Youngs, T.G.A., Holbrey, J.D., Deetlefs, M., Nieuwenhuyzen, M., Gomes, M.F.C. and Hardacre, C., "A molecular dynamics study of glucose solvation in the ionic liquid 1,3-dimethylimidazolium chloride", ChemPhysChem, 7, 2279-2281 (2006).
14. Del Popolo, M.G., Kohanoff, J. and Lynden-Bell, R.M., "Solvation Structure and Transport of Acidic Protons in Ionic Liquids: A First-principles Simulation Study", J. Phys. Chem. B, 110, 8798-8803 (2006).
15. Youngs, T.G.A., Del Popolo, M.G. and Kohanoff, J., "Development of Complex Classical Force Fields through Force Matching to ab Initio Data: Application to a Room-Temperature Ionic Liquid", J. Phys. Chem. B, 110, 5697-5707 (2006).
16. Deetlefs, M., Seddon, K.R. and Shara, M., "Predicting physical properties of ionic liquids", Phys. Chem. Chem. Phys., 8, 642-649 (2006).
17. Deetlefs, M., Hardacre, C., Nieuwenhuyzen, M., Padua, A.A.H., Sheppard, O. and Soper, A.K., "Liquid Structure of the Ionic Liquid 1,3-Dimethylimidazolium Bis{(trifluoromethyl)sulfonyl}amide", J. Phys. Chem. B, 110, 12055-12061 (2006).
18. Prado, C.E.R., Del Popolo, M.G., Youngs, T.G.A., Kohanoff, J. and Lynden-Bell, R.M., "Molecular electrostatic properties of ions in an ionic liquid", Mol. Phys., 104, 2477-2483 (2006).
19. Del Popolo, M.G., Lynden-Bell, R.M. and Kohanoff, J., "Ab Initio Molecular Dynamics Simulation of a Room Temperature Ionic Liquid", J. Phys. Chem. B, 109, 5895-5902 (2005).
20. Deetlefs, M., Hardacre, C., Nieuwenhuyzen, M., Sheppard, O. and Soper, A.K., "Structure of Ionic Liquid-Benzene Mixtures", J. Phys. Chem. B, 109, 1593-1598 (2005).
21. Bradley, A.E., Hardacre, C., Nieuwenhuyzen, M., Pitner, W.R., Sanders, D., Seddon, K.R. and Thied, R.C., "An EXAFS, X-ray diffraction, and electrochemical investigation of 1-alkyl-3-methylimidazolium salts of [{UO2(NO3)2}2(m4-C2O4)]2-", in Ionic Liquids IIIA: Fundamentals, Progress, Challenges, and Opportunities, Eds. R.D. Rogers and K.R. Seddon, ACS Symposium Series, Vol. 901 (American Chemical Society, Washington, 2005), pp. 32-46.
22. Berg, R.W., Deetlefs, M., Seddon, K.R., Shim, I. and Thompson, J.M., "Raman and ab initio Studies of Simple and Binary 1-Alkyl-3-methylimidazolium Ionic Liquids", J. Phys. Chem. B, 109, 19018-19025 (2005).
24. Downard, A., Earle, M.J., Hardacre, C., McMath, S.E.J., Nieuwenhuyzen, M. and Teat, S.J., "Structural Studies of Crystalline 1-Alkyl-3-Methylimidazolium Chloride Salts", Chem. Mater., 16, 43-48 (2004).
25. Van Den Berg, J.-A. and Seddon, K.R., "Critical Evaluation of C-H...X Hydrogen Bonding in the Crystalline State", Cryst. Growth Des., 3, 643-661 (2003).
26. Hanke, C.G. and Lynden-Bell, R.M., "A Simulation Study of Water-Dialkylimidazolium Ionic Liquid Mixtures", J. Phys. Chem. B, 107, 10873-10878 (2003).
27. Hardacre, C., Holbrey, J.D., McMath, S.E.J. and Nieuwenhuyzen, M., "Small-angle scattering from long-chain alkylimidazolium-based ionic liquids", in Ionic Liquids: Industrial Applications for Green Chemistry, Eds. R.D. Rogers and K.R. Seddon, ACS Symposium Series, Vol. 818, Washington, 2002), pp. 400-412.
28. Hanke, C.G., Atamas, N.A. and Lynden-Bell, R.M., "Solvation of small molecules in imidazolium ionic liquids: a simulation study", Green Chem., 4, 107-111 (2002).
29. Hamill, N.A., Hardacre, C. and McMath, S.E.J., "In situ XAFS investigation of palladium species present during the Heck reaction in room temperature ionic liquids", Green Chem., 4, 139-142 (2002).
30. Bradley, A.E., Hardacre, C., Holbrey, J.D., Johnston, S., McMath, S.E.J. and Nieuwenhuyzen, M., "Small-Angle X-ray Scattering Studies of Liquid Crystalline 1-Alkyl-3-methylimidazolium Salts", Chem. Mater., 14, 629-635 (2002).
31. Hardacre, C., Holbrey, J.D., McCormac, P.B., McMath, S.E.J., Nieuwenhuyzen, M. and Seddon, K.R., "Crystal and liquid crystalline polymorphism in 1-alkyl-3-methylimidazolium tetrachloropalladate(II) salts", J. Mater. Chem., 11, 346-350 (2001).
32. Carmichael, A.J., Hardacre, C., Holbrey, J.D., Nieuwenhuyzen, M. and Seddon, K.R., "A Method for Studying the Structure of Low-Temperature Ionic Liquids by XAFS", Anal. Chem., 71, 4572-4574 (1999).
33.Aakeroy, C.B., Evans, T.A., Seddon, K.R. and Palinko, I., "The C-H...Cl hydrogen bond: does it exist?", New J. Chem., 23, 145-152 (1999).
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