Structure, effective pair potential and properties of halothane

Chemical Physics Letters

Volumn 258, Issue 1-2, 1996, Pages 276-282

  Scharf, D ^a,b   Laasonen, K ^b,c  

^a HOSPITAL OF THE UNIVERSITY OF PENNSYLVANIA   (United States)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

^c UNIVERSITY OF HELSINKI   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030576387     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(96)00652-5     Document Type: Article

References (35)

1. [1] B.E. Marshall and D.E. Longnecker, in: The pharmacological basis of therapeutics, 8th Ed., eds. A.G. Gilman, T.W. Rall, A.S. Nies and P. Taylor (Pergamon Press, New York, 1990) p. 285.
2. [2] K.W. Miller, in: Burger's medicinal chemistry, Part III, ed. M.E. Wolf (Wiley, New York, 1981) p. 623
3. [3] C.E. Orzech and F.Q. Gemmill Jr., in: Analytical profiles of drug substances, Vol. 14, ed. K. Florey (Academic Press, New York, 1985) p. 597.
4. [4] R. Car and M. Parrinello, Phys. Rev. Lett. 55 (1985) 2471.
5. [5] M.W. Evans and G.J. Evans, Phys. Rev. Lett. 55 (1985) 818.
6. [6] G.J. Martyna, D.J. Tobias and M.L. Klein, J. Chem. Phys. 101 (1994) 4177.
7. [7] K. Laasonen, R. Car, C. Lee and D. Vanderbilt, Phys. Rev. B 43 (1991) 6796.
8. [8] D.R. Hamann, M. Schlüter and C. Chiang, Phys. Rev. Lett. 43 (1979) 1494.
9. [9] G.B. Bachelet, D.R. Hamann and M. Schlüter, Phys. Rev. B 26 (1982) 4199.
10. [10] N. Troullier and J.L. Martins, Phys. Rev. B 43 (1991) 1993.
11. [11] D. Vanderbilt, Phys. Rev. B 41 (1990) 7892.
12. [12] K. Laasonen, M. Sprik, M. Parrinello and R. Car, J. Chem. Phys. 99 (1993) 9080
13. [13] K. Laasonen, M. Parrinello, R. Car, C. Lee and D. Vanderbilt, Chem. Phys. Lett. 207 (1993) 208.
14. [14] U. Röthlisberger and M.L. Klein, Chem. Phys. Lett. 227 (1994) 390.
15. [15] B. Korman and I.M. Ritchie, Anesthesiology 57 (1982) 42.
16. [16] M.P. Allen and D. J. Tildesley, Computer simulation of liquids (Oxford Univ. Press, New York, 1989).
17. [17] J.P. Ryckaert, G. Cicotti and H.J.C. Berendsen, J. Comput. Phys. 23 (1977) 327.
18. [18] G.J. Martyna, M.E. Tuckerman and M.L. Klein, J. Chem. Phys. 97 (1992) 2635.
19. [19] R. Righini and M.L. Klein, Chem. Phys. Lett. 87 (1982) 604.
20. [20] M.D. Harmony et al., J. Phys. Chem. Ref. Data 8 (1979) 619.
21. [21] P.L. Prasad and D.F. Burow, J. Am. Chem. Soc. 101 (1979) 806.
22. [22] N. Karasawa and W.A. Goddard III, Macromolecules 25 (1992) 7268.
23. [23] U. Röthlisberger, K. Laasonen, M.L. Klein and M. Sprik, J. Chem. Phys. (1995), in press.
24. [24] R. Stølevik, J. Molec. Structure 291 (1993) 301.
25. [25] W.L. Jorgensen, J.M. Briggs and L.M. Contreras, J. Phys. Chem. 94 (1990) 968.
26. [26] H.J. Böhm and R. Ahlrichs, Molec. Phys. 54 (1985) 1261.
27. [27] I.G. Tironi and W. Van Gunsteren, Molec. Phys. 83 (1994) 381.
28. [28] M. Ferrario and M.W. Evans, Chem. Phys. 72 (1982) 141.
29. [29] S. Nosé and M.L. Klein, J. Chem. Phys. 78 (1983) 6928.
30. [30] C.W. Meyer and G. Morrison, J. Phys. Chem. 95 (1991) 3860
31. [31] CRC handbook of chemistry and physics, 66th Ed. (CRC Press, Boca Raton, 1985-86).
32. [32] K. Singer, A. Taylor and J.V.L. Singer, Molec. Phys. 33 (1977) 1757.
33. [33] S. Murad and K.E. Gubbins, in: Computer modeling of matter, ed. P. Lykos, ACS Symp. Ser. 86 (1978) 62.
34. [34] W. L. Jorgensen, J. D. Madura and C. J. Swenson, J. Am. Chem. Soc. 106 (1984) 6638.
35. [35] D. Scharf, D.J. Tobias and M.L. Klein, to be published.