Molecular simulation of cross-nucleation between polymorphs

Journal of Physical Chemistry B

Volumn 111, Issue 6, 2007, Pages 1465-1469

  Desgranges, Caroline ^a   Delhommelle, Jerome ^a  

^a University of South Carolina   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CRYSTAL GROWTH; CRYSTAL STRUCTURE; CRYSTALLINE MATERIALS; CRYSTALLIZATION; NUCLEATION;

CROSS NUCLEATION; LENNARD JONES PARTICLES; MOLECULAR SIMULATION; POLYMORPHS;

MOLECULAR DYNAMICS;

EID: 33847407950     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp067310     Document Type: Article

References (30)

1. Bernstein, J. Polymorphism in Molecular Crystals; Oxford University Press: Oxford, UK, 2002.
2. Dunitz, J.; Bernstein, J. Acc. Chem. Res. 1995, 28, 193.
3. Bauer, J.; Spanton, S.; Henry, R.; Quick, J.; Dziki, W.; Porter, W.; Morris, J. Pharm. Res. 2001, 18, 859.
4. Bernstein, J.; Davey, R. J.; Henck, J.-O. Angew. Chem., Int. Ed. 1999, 38, 3441.
5. ter Horst, J. H.; Kramer, H. J. M.; Jansens, P. J. Cryst. Growth Des. 2002, 2, 351.
6. Blagden, N.; Davey, R. J. Cryst. Growth Des. 2003, 3, 873.
7. Yu, L. J. Am. Chem. Soc. 2003, 725, 6380.
8. Stoica, C.; Tinnemans, P.; Meekes, H.; Vlieg, E. Cryst. Growth Des. 2005, 5, 975.
9. Chen, S.; Xi, H.; Yu, L. J. Am. Chem. Soc. 2005, 127, 17439.
10. Tao, J.; Yu, L. J. Phys. Chem. B 2006, 110, 7098.
11. Huang, J.; Chen, S.; Guzei, I. A.; Yu, L. J. Am. Chem. Soc. 2006, 128, 11985.
12. Ostwald, W. Z. Phys. Chem. 1897, 22, 289.
13. Cardew, P. T.; Davey, R. J. Farady Soc. Discuss. 1993, 95, 160.
14. Desgranges, C.; Delhommelle, J. J. Am. Chem. Soc. 2006, 128, 10368.
15. van der Hoef, M. A. J. Chem. Phys. 2000, 113, 8142.
16. Choi, Y.; Ree, T.; Ree, F. H. Phys. Rev. B 1993, 48, 2988.
17. Somasi, S.; Khomani, B.; Lovett, R. J. Chem. Phys. 2000, 113, 4320.
18. Allen, M. P.; Tildesley, D. J. Computer Simulations of Liquids; Oxford University Press: Oxford, UK, 1987.
19. Torrie, G. M.; Valleau, J. P. Chem. Phys. Lett. 1974, 28, 578.
20. van Duijneveldt, J. S.; Frenkel, D. J. Chem. Phys. 1992, 96, 4655.
21. ten Wolde, P. R.; Ruiz-Montero, M. J.; Frenkel, D. Phys. Rev. Lett. 1995, 75, 2714.
22. ten Wolde, P. R.; Ruiz-Montero, M. J.; Frenkel, D. J. Chem. Phys. 1996, 104, 9932.
23. Auer, S.; Frenkel, D. Nature 2001, 409, 1020.
24. Steinhardt, P. J.; Nelson, D. R.; Ronchetti, M. Phys. Rev. B 1983, 28, 784.
25. Trudu, F.; Donadio, D.; Parrinello, M. Phys. Rev. Lett. 2006, 97, 105701.
26. Moroni, D.; ten Wolde, P. R.; Bolhuis, P. G. Phys. Rev. Lett. 2005, 94, 235703.
27. Burke, E.; Broughton, J. Q.; Gilmer, G. H. J. Chem. Phys. 1988, 89, 1030.
28. Gulam, Razul, M. S.; Hendry, J. G.; Kusalik, P. G. J. Chem. Phys. 2005, 123, 204722.
29. Cacciuto, A.; Auer, S.; Frenkel, D. Nature 2004, 428, 404.
30. Desgranges, C.; Delhommelle, J. J. Am. Chem. Soc. 2006, 728, 15104.