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http://dx.doi.org/10.5012/bkcs.2006.27.2.315

Selectivity of 12-Crown-4 to Cations in CH3OH: A Monte Carlo Simulation Study  

Kim, Hag-Sung (Department of Environmental and Fine Chemistry, Ulsan College)
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Keywords
The difference of stability constant of binding; Monte Carlo simulation; Selectivity;
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1 Postma, J. P. M.; Berendsen, H. J. C.; Haak, J. R. Faraday Symp. Chem. Soc. 1982, 17, 55   DOI
2 Tembe, B. L.; McCammon, J. A. Comput. Chem. 1984, 8, 281   DOI   ScienceOn
3 Aqvist, J.; Warshel, A. Ann. Rev. Biophys. Biophys. Chem. 1991, 20, 267   DOI
4 Jorgensen, W. L. Free Energy Changes in Solution in Encyclopedia of Computational Chemistry; Schielyer, P.v.R. Ed.; Wiley: New York, 1998; Vol. 2, p 1061
5 Kozak, R. W.; Waldmann, T. A.; Atcher, R. W.; Gansow, O. A. Trends Biotechnol. 1985, 4, 259   DOI   ScienceOn
6 Izatt, R. M.; Bradshow, J. S.; Nielsen, S. A.; Lamb, J. D.; Christensen, J. J. Chem. Rev. 1985, 85, 271   DOI
7 Cui, C.; Cho, S.; Kim, K. S. J. Phys. Chem. A 1998, 102, 1119   DOI   ScienceOn
8 Hill, S. E.; Feller, D.; Glendening, E. D. J. Phys. Chem. A 1998, 102, 3813   DOI   ScienceOn
9 More, M. B.; Ray, D.; Armentrout, P. B. J. Phys. Chem. A 1997, 101, 7007   DOI   ScienceOn
10 Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. J. Am. Chem. Soc. 1996, 118, 11225   DOI   ScienceOn
11 Gorkel, G. W. Crown Ethers and Cryptands; The Royal Society of Chemistry, London, 1990
12 Seid, E. T.; Schafer III, H. F. J. Phys. Chem. 1991, 95, 3589   DOI
13 Mezei, M.; Beveridge, D. L. J. Chem. Phys. 1981, 74, 6902   DOI
14 Christian, R. Solvents and Solvent Effects in Organic Chemistry, 2nd ed.; VCH: 1988; p 20
15 Valleau, J. P.; Torrie, G. M. Statistical Mechanics, Part A; B. J. Berne, Ed.; Plenum, New York, 1977; p 169
16 Bayly, C. I.; Kollman, P. A. J. Am. Chem. Soc. 1994, 116, 697   DOI   ScienceOn
17 Jorgensen, W. L. J. Phys. Chem. 1983, 87, 5304   DOI
18 Mezei, M.; Mehrotra, P. K.; Beveridge, D. L. J. Am. Chem. Soc. 1985, 107, 2239   DOI
19 Zwanzig, R. W. J. Chem. Phys. 1954, 22, 1420   DOI
20 Kim, H. S. J. Phys. Chem. B 2004, 108, 11753   DOI   ScienceOn
21 Kim, H. S. Chem. Phys. Lett. 2001, 346, 135   DOI   ScienceOn
22 Kim, H. S. Phys. Chem. Chem. Phys. 2000, 2, 1919   DOI
23 Kim, H. S. Bull. Kor. Chem. Soc. 2003, 23, 751
24 Kim, H. S.; Chi, K. W. THEOCHEM. 2005, 722, 1   DOI   ScienceOn
25 Perdersen, C. J. J. Am. Chem. Soc. 1967, 89, 2495, 7017   DOI
26 Perdersen, C. J. Science 1988, 241, 536   DOI
27 De Jong, F.; Reinhoudt, D. N. Adv. Phys. Org. Chem. 1980, 17, 279
28 Chiarizia, R.; Horwitz, E. P.; Dierz, M. L. Solvent Extraction and Ion Exchange 1992, 10, 313, 337   DOI   ScienceOn
29 Kim, K. S.; Tarakeshwar, P.; Lee, J. Y. Chem. Rev. 2000, 100, 4145   DOI   ScienceOn
30 Lee, I.; Kim, C. K.; Han, I. S.; Lee, H. W.; Kim, W. K.; Kim, Y. B. J. Phys. Chem. B 1999, 103, 7302   DOI   ScienceOn
31 Frazier, R.; Wai, C. M. Talanta 1992, 39, 211   DOI   ScienceOn
32 Lehn, J.-M. Angew. Chem., Int. Ed. Engl. 1988, 27, 123
33 Schulz, W. W.; Bray, L. A. Sep. Sci. Technol. 1987, 22, 191   DOI   ScienceOn
34 Chandrasekhar, J.; Jorgensen, W. L. J. Am. Chem. Soc. 1985, 107, 2974   DOI
35 Allen, M. P.; Tidelsley, D. J. Computer Simulation of Liquids; Oxford University Press: Oxford, 1987
36 Simkin, B. Y.; Sheikhet, I. I. Quantum Chemical and Statistical Theory of Solution: A Comprehensive Approach; Ellis Horwood: London, 1995
37 Wang, J.; Kollman, P. A. J. Am. Chem. Soc. 1998, 120, 11106   DOI   ScienceOn
38 Kozak, R. W.; Waldmann, T. A.; Atcher, R.W.; Gansow, O. A. Trends Biotechnol 1985, 4, 359
39 Hawkins, G. D.; Liotard, D. A.; Cramer, C. J.; Truhlar, D. G. J. Org. Chem. 1998, 63, 4305   DOI   ScienceOn
40 Florian, J.; Warshel, A. J. Phys. Chem. B 1999, 103, 10282   DOI   ScienceOn
41 Rebertus, D. W.; Berne, B. J.; Chandler, D. J. Chem. Phys. 1979, 70, 3395   DOI
42 Kollman, P. A. Chem. Rev. 1993, 93, 2395   DOI   ScienceOn
43 Jorgensen, W. L. BOSS Version 4.1; Yale University: New Haven, CT, 1999