Chemistry Reference
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36. C. Hardacre, S. E. J. McMath, M. Nieuwenhuyzen, D. T. Bowron, and A. K. Soper, J. Phys.:
Condens. Matt. , 15 , S159 (2003). Liquid Structure of 1,3-Dimethylimidazolium Salts.
37. C. G. Hanke, N. A. Atamas, and R. M. Lynden-Bell, Green Chem. , 4 , 107 (2002). Solvation of
Small Molecules in Imidazolium Ionic Liquids. A Simulation Study.
38. R. M. Lynden-Bell, N. A. Atamas, A. Vasilyuk, and C. G. Hanke, Mol. Phys. , 100 , 3225
(2002). Chemical Potentials of Water and Organic Solutes in Imidazolium Ionic Liquids: A
Simulation Study.
39. J. K. Shah, J. F. Brennecke, and E. J. Maginn, Green Chem. , 4 , 112 (2002). Thermodynamic
Properties of the Ionic Liquid 1- n -Butyl-3-methylimidazolium Hexafluorophosphate from
Monte Carlo Simulations.
40. C. M. Breneman and K. B. Wiberg, J. Comput. Chem. , 11 , 361 (1990). Determining Atom-
Centered Monopoles from Molecular Electrostatic Potentials. The Need for High Sampling
Density in Formamide Conformational Analysis.
41. W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives, J. Am. Chem. Soc. , 118 , 11225 (1996).
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics
and Properties of Organic Liquids.
42. A. D. MacKerell, D. Bashford, M. Bellott, R. L. Dunbrack, J. D. Evanseck, M. J. Field, S.
Fisher, J. Gao, H. Guo, S. Ha, D. Joseph-McCarthy, L. Kuchnir, K. Kuczera, F. T. K. Lau, C.
Mattos, S. Michnick, T. Ngo, D. T. Nguyen, B. Prodhom, W. E. Reiher III, B. Roux, M.
Schlenkrich, J. C. Smith, R. Stote, J. Straub, M. Watanabe, J. Wiorkiewicz-Kuczera, D. Yin,
and M. Karplus, J. Phys. Chem. B , 102 , 3586 (1998). All-Atom Empirical Potential for
Molecular Modeling and Dynamics Studies of Proteins.
43. K. R. Seddon as quoted byM. Freemantle, in C&ENews , 78 , 37 (2000). Eyes on Ionic Liquids.
44. Y. U. Paulechka, D. H. Zaitsau, G. J. Kabo, and A. A. Strechan, Thermochim. Acta , 439 , 158
(2005). Vapor Pressure and Thermal Stability of Ionic Liquid 1-Butyl-3-methylimidazolium
bis(trifluoromethylsulfonyl)amide.
45. D. H. Zaitsau, G. J. Kabo, A. A. Strechan, Y. U. Paulechka, A. Tschersich, S. P. Verevkin, and
A. Heintz, J. Phys. Chem. A , 110 , 7303 (2006). Experimental Vapor Pressures of 1-Alkyl-3-
methylmidazolium bis(trifluoromethylsulfonyl) Imides and a Correlation Scheme for Esti-
mation of Vaporization Enthalpies of Ionic Liquids.
46. L. M. N. B. F. Santos, J. N. Canongia Lopes, J. A. P. Coutinho, J. M. S. S. Esperanca, L. R.
Gomes, I. M. Marrucho, and L. P. N. Rebelo, J. Am. Chem. Soc. , 129 , 284 (2007). Ionic
Liquids: First Direct Determination of Their Cohesive Energy.
47. C. J. Margulis, H. A. Stern, and B. J. Berne, J. Phys. Chem. B , 106 , 12017 (2002). Computer
Simulation of a ''Green Chemistry'' Room-Temperature Ionic Solvent.
48. G. A. Kaminsky and W. L. Jorgensen, J. Chem. Soc., Perkin Trans. , 2 , 2365 (1999). Host-
Guest Chemistry of Rotaxanes and Catenanes: Application of a Polarizable All-Atom
Force Field to Cyclobis(paraquat- p -phenylene) Complexes with Disubstituted Benzenes
and Biphenyls.
49. T. I. Morrow and E. J. Maginn, J. Phys. Chem. B , 106 , 12807 (2002). Molecular Dynamics
Study of the Ionic Liquid 1- n -Butyl-3-methylimidazolium Hexafluorophosphate. Corrigen-
dum: T. I. Morrow, and E. J. Maginn, J. Phys. Chem. B , 107 , 9160 (2003).
50. Z. Gu and J. F. Brennecke, J. Chem. Eng. Data , 27 , 339 (2002). Volume Expansivities and
Isothermal Compressibilities of Imidazolium and Pyridinium-Based Ionic Liquids.
51. J. de Andrade, E. S. Boes, and H. Stassen, J. Phys. Chem. B , 106 , 3546 (2002). A Force Field for
Liquid State Simulations on RoomTemperature Molten Salts: 1-Ethyl-3-methylimidazolium
Tetrachloroaluminate.
52. J. de Andrade, E. S. Boes, and H. Stassen J. Phys. Chem. B , 106 , 13344 (2002). Computational
Study of Room Temperature Molten Salts Composed by 1-Alkyl-3-methylimidazolium
Cations—Force Field Proposal and Validation.
53. W. D. Cornell, P. Cieplak, C. I. Bayly, I. R. Gould, K. M. Merz, Jr., D. M. Ferguson, D. C.
Spellmeyer, T. Fox, J. W. Caldwell, and P. A. Kollman, J. Am. Chem. Soc. , 117 , 5179 (1995).
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