Ethanol force fields: A molecular dynamics study of polarization effects on different phases

Journal of Chemical Physics

Volumn 110, Issue 16, 1999, Pages 8045-8059

  Gonzalez M A ^a,b   Enciso, E ^b   Bermejo, F J ^c   Bee M ^d  

^a INSTITUT LAUE LANGEVIN   (France)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^c CSIC   (Spain)

^d LIPHY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000300197     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478706     Document Type: Article

References (28)

1. Reviews in Computational Chemistry, edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York, 1995).
2. A. Wallqvist and B. J. Berne, J. Phys. Chem. 97, 13, 841 (1993).
3. P. Barnes, J. L. Finney, J. D. Nicholas, and J. E. Quinn, Nature (London) 282, 459 (1979).
4. A. A. Chialvo and P. T. Cummings, J. Chem. Phys. 105, 8274 (1996).
5. P. Ahlström, A. Wallqvist, S. Engström, and B. Jönsson, Mol. Phys. 68, 563 (1989).
6. F. J. Vesely, J. Comput. Phys. 24, 361 (1977).
7. G. Corongiu and E. Clementi, J. Chem. Phys. 98, 4984 (1983).
8. J. M. Caillol, D. Levesque, J. J. Weis, J. S. Perkyns, and G. N. Patey, Mol. Phys. 62, 1225 (1987).
9. S. Murad, A. Papaioannou, and J. G. Powles, Mol. Phys. 56, 431 (1985).
10. J. W. Caldwell and A. Kollman, J. Phys. Chem. 99, 6208 (1995).
11. J. Gao, D. Habibollazadeh, and L. Shao, J. Phys. Chem. 99, 16, 460 (1995).
12. F. Bruni, M. A. Ricci, and A. K. Soper, Phys. Rev. B 54, 11,876 (1996).
13. A. A. Chialvo and P. T. Cummings, J. Phys. Chem. 100, 1309 (1996).
14. A. Srinivasan, F. J. Bermejo, A. de Andrés, J. Dawidowski, J. Zúñiga, and A. Criado, Phys. Rev. B 53, 8172 (1996);
15. R. Fayos, F. J. Bermejo, J. Dawidowski, H. E. Fischer, and M. A. González, Phys. Rev. Lett. 77, 3823 (1996)
16. ; F. J. Bermejo, A. Criado, R. Fayos, R. Fernández-Perea, H. E. Fischer, E. Suard, A. Guelylah, and J. Zuñiga, Phys. Rev. B 56, 11, 536 (1997).
17. M. A. Ramos, S. Vieira, F. J. Bermejo, J. Dawidowski, H. E. Fischer, H. Schober, M. A. Gonźalez, C. K. Loong, and D. L. Price, Phys. Rev. Lett. 78, 82 (1997).
18. O. Haida, H. Suga, and S. Seki, J. Chem. Thermodyn. 9, 1133 (1977).
19. W. L. Jorgensen, J. Phys. Chem. 90, 1276 (1986).
20. L. Saiz, J. A. Padró, and E. Guàrdia, J. Phys. Chem. B 101, 78 (1997).
21. S. I. Carnie and G. N. Patey, Mol. Phys. 47, 1129 (1982).
22. old|<0.005 D.
23. P. H. Fries, W. Kunz, P. Calmettes, and P. Turq, J. Chem. Phys. 101, 554 (1994).
24. M. Masella and J.-P. Flament, Mol. Phys. 95, 97 (1998).
25. G. W. C. Kaye and T. H. Laby, in Tables of Physical and Chemical Constants (Longmans, Harlow, Essex, Great Britain, 1995).
26. J. Applequist, J. R. Carl, and K.-K. Fung, J. Am. Chem. Soc. 94, 2952 (1972);
27. R. R. Birge, J. Chem. Phys. 72, 5312 (1980);
28. B. T. Thole, Chem. Phys. 59, 341 (1981).