Accurate Estimates of Infinite-Dilution Chemical Potentials of Small Hydrocarbons in Water via Molecular Dynamics Simulation

Journal of Physical Chemistry B

Volumn 103, Issue 29, 1999, Pages 6075-6079

  Slusher, Joseph T ^a,b  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^b LOCKHEED MARTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001278388     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp990709w     Document Type: Article

References (35)

1. Lin, C.-Y.; Wood, R. H. J. Phys. Chem. 1996, 100, 16399.
2. Bash, P. A.; Singh, U. C.; Langridge, R.; Kollman, P. A. Science 1987, 236, 564.
3. Slusher, J. T. Fluid Phase Equilib. 1998, 153, 45.
4. Slusher, J. T. Fluid Phase Equilib. 1999, 154, 181.
5. Lyubartsev, A. P.; Forrisdahl, O. K.; Laaksonen, A. J. Chem. Phys. 1998, 108, 227.
6. Lynden-Bell, R. M.; Rasaiah, J. C. J. Chem. Phys. 1997, 107, 1981.
7. Guillot, B.; Guissani, Y. J. Chem. Phys. 1993, 99, 8075.
8. Hummer, G.; Pratt, L. R.; Garcia, A. E. J. Phys. Chem. 1996, 100, 1206.
9. Jorgensen, W. L.; Blake, J. F.; Buckner, J. K. Chem. Phys. 1989, 129, 193.
10. Guillot, B.; Guissani, Y.; Bratos, S. J. Chem. Phys. 1991, 95, 3643.
11. Ben-Naim, A. Solvation Thermodynamics; Plenum Press: New York, 1987.
12. Sun, Y.; Spellmeyer, D.; Pearlman, D. A.; Kollman, P. J. Am. Chem. Soc. 1992, 114, 6798.
13. Jorgensen, W. L.; Severance, D. L. J. Am. Chem. Soc. 1990, 112, 4768.
14. Errington, J. R.; Boulougouris, G. C.; Economou, I. G.; Panagiotopoulos, A. Z.; Theodorou, D. N. J. Phys. Chem. B 1998, 102, 8865.
15. Widom, B. J. Chem. Phys. 1963, 39, 2808.
16. Kofke, D. A.; Cummings, P. T. Mol. Phys. 1997, 92, 973.
17. Chialvo, A. A. J. Chem. Phys. 1990, 92, 673.
18. Chialvo, A. A. J. Phys. Chem. 1991, 95, 6683.
19. Kirkwood, J. G. J. Chem. Phys. 1935, 3, 300.
20. Mezei, M.; Beveridge, D. L. Ann. (N. Y.) Acad. Sci. 1986, 482, 1.
21. Pearlman, D. A.; Kollman, P. A. J. Chem. Phys. 1989, 90, 2460.
22. Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; Hermans, J. In Intermolecular Forces; Pullman, B. D., Ed.; Reidel: Dordrecht, The Netherlands, 1981; pp 331-342.
23. Jorgensen, W. L. J. Phys. Chem. 1986, 90, 1276.
24. Quintana, J.; Haymet, A. D. J. Chem. Phys. Lett. 1992, 189, 273.
25. Ciccotti, G.; Ferrario, M.; Ryckaert, J.-P. Mol. Phys. 1982, 47, 1253.
26. Melchionna, S.; Ciccotti, G.; Holian, B. L. Mol. Phys. 1993, 78, 533.
27. Slusher, J. T.; Cummings, P. T. Mol. Sim. 1996, 18, 213.
28. Beeman, D. J. Comput. Phys. 1976, 20, 130.
29. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Oxford University Press: New York, 1987.
30. Rao, B. G.; Singh, U. C. J. Am. Chem. Soc. 1989, 111, 3125.
31. Fleischman, S. H.; Brooks, C. L., III J. Chem. Phys. 1987, 87, 3029.
32. Denti, T. Z. M.; Beutler, T. C.; Gunsteren, W. F. V.; Diederich, F. J. Phys. Chem. 1996, 100, 4256.
33. Hine, J.; Mookerjee, P. K. J. Org. Chem. 1975, 40, 292.
34. Kuyper, L. F.; Hunter, R. N.; Ashton, D.; K. M. Merz, J.; Kollman, P. A. J. Phys. Chem. 1991, 95, 6661.
35. Chialvo, A. A. Fluid Phase Equilib. 1993, 83, 23.