Predictions of molecular chirality and helical twisting powers: A theoretical study

Journal of Chemical Physics

Volumn 119, Issue 19, 2003, Pages 10280-10288

  Earl, David J ^a   Wilson, Mark R ^a  

^a DURHAM UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; DOPING (ADDITIVES); ISOMERIZATION; LIQUID CRYSTALS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; NUMERICAL ANALYSIS; ORGANIC COMPOUNDS; PHOTOCHEMICAL REACTIONS; THERMAL EFFECTS;

CHIRAL PHOTOCHROMIC DOPANT; HELICAL TWISTING POWER; MOLECULAR CHIRALITY; PHOTOISOMERIZATION; TEMPERATURE DEPENDENCE; TETRAARYLDIOXOLANDIMETHANOL;

MOLECULAR DYNAMICS;

EID: 0345529829     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1617980     Document Type: Article

References (45)

1. M. C. W. van Boxtel, R. H. C. Janssen, C. W. M. Bastiaansen, and D. J. Broer, J. Appl. Phys. 89, 838 (2001).
2. M. Schadt, H. Seieberle, and A. Schuster, Nature (London) 381, 6579 (1996).
3. P. van de Witte, E. E. Neuteboom, M. Brehmer, and J. Lub, J. Appl. Phys. 85, 7517 (1999).
4. M. J. Cook and M. R. Wilson, J. Chem. Phys. 112, 1560 (2000).
5. M. R. Wilson and D. J. Earl, J. Mater. Chem. 11, 2672 (2001).
6. M. Solymosi, R. J. Low, M. Grayson, M. P. Neal, M. R. Wilson, and D. J. Earl, Ferroelectrics 277, 169 (2002).
7. M. P. Neal, M. Solymosi, M. R. Wilson, and D. J. Earl, J. Chem. Phys. 119, 3567 (2003).
8. M. A. Osipov and H. G. Kuball, Eur. Phys. J. E 5, 589 (2001).
9. A. Ferrarini, G. J. Moro, and P. L. Nordio, Liq. Cryst. 19, 397 (1995).
10. L. Feltre, A. Ferrarini, F. Pacchiele, and P. L. Nordio, Mol. Cryst. Liq. Cryst. Sci. Technol., Sect. A 290, 109 (1996).
11. A. di Matteo, S. M. Todd, G. Gottarelli, G. Solladie, V. E. Williams, R. P. Lemieux, A. Ferrarini, and G. P. Spada, J. Am. Chem. Soc. 123, 7842 (2001).
12. A. Ferrarini, G. Gottarelli, P. L. Nordio, and G. P. Spada, J. Chem. Soc., Perkin Trans. 1 2, 411 (1999).
13. A. Ferrarini and P. L. Nordio, J. Chem. Soc., Perkin Trans. 1 2, 455 (1998).
14. A. Ferrarini, P. L. Nordio, P. V. Shibaev, and V. P. Shibaev, Liq. Cryst. 24, 219 (1998).
15. A. Ferrarini, G. J. Moro, and P. L. Nordio, Mol. Phys. 87, 485 (1996).
16. A. Ferrarini, G. J. Moro, and P. L. Nordio, Phys. Rev. E 53, 681 (1996).
17. Y. Vorobjev and J. Hermans, Biophys. J. 73, 722 (1997).
18. A. Rapini and M. Papoular, J. Phys. Colloq. 30 C4, 54 (1969).
19. P. G. de Gennes, The Physics of Liquid Crystals (Oxford University Press, Oxford, 1974), Chap. 3.
20. F. Brochard and P. G. de Gennes, J. Phys. (Paris) 31, 691 (1970).
21. S. V. Burylov and Y. L. Raikher, Phys. Lett. A 149, 279 (1990).
22. A. Ferrarini (personal communication, 2002).
23. N. L. Allinger, J. Am. Chem. Soc. 99, 8127 (1977).
24. CACHE Satellite: A Chemists Guide to CACHE for Windows (Oxford Molecular Group Inc., 1995).
25. M. R. Wilson, Liq. Cryst. 21, 437 (1996).
26. G. Gottarelli, M. Hibert, B. Samori, G. Solladie, G. P. Spada, and R. Zimmermann, J. Am. Chem. Soc. 105, 7318 (1983).
27. G. Gottarelli, G. Proni, G. P. Spada, D. Fabbri, S. Gladiali, and C. Rosini, J. Org. Chem. 61, 2013 (1996).
28. N. L. Allinger, Y. H. Yuh, and J. Lii, J. Am. Chem. Soc. 111, 8551 (1989).
29. M. Solymosi, R. J. Low, M. Grayson, and M. P. Neal, J. Chem. Phys. 116, 9875 (2002).
30. H. Kamberaj, M. A. Osipov, R. J. Low, and M. P. Neal (unpublished).
31. H. G. Kuball, B. Weiss, A. K. Beck, and D. Seebach, Helv. Chim. Acta 80, 2507 (1997).
32. A. Ferrarini, G. R. Luckhurst, P. L. Nordio, and S. J. Roskilly, Liq. Cryst. 21, 373 (1996).
33. C. McBride, M. R. Wilson, and J. A. K. Howard, Mol. Phys. 93, 955 (1998).
34. M. R. Wilson and M. P. Allen, Mol. Cryst. Liq. Cryst. 198, 465 (1991).
35. A. Y. Bobrovsky, N. I. Boiko, and V. P. Shibaev, Mol. Cryst. Liq. Cryst. 363, 35 (2001).
36. A. J. Slaney, I. Nishiyama, P. Styring, and J. W. Goodby, J. Mater. Chem. 2, 805 (1992).
37. M. J. Watson, M. K. Horsburgh, J. W. Goodby, K. Takatoh, A. J. Slaney, J. S. Patel, and P. Styring, J. Mater. Chem. 8, 1963 (1998).
38. M. K. B. R. Gelin, Biochemistry 18, 1256 (1979).
39. B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, and M. Karplus, J. Comput. Chem. 4, 187 (1983).
40. D. L. Cheung, S. J. Clark and M. R. Wilson, Phys. Rev. E 65, 051709 (2002).
41. A. V. Emelyanenko, Phys. Rev. E 67, 031704 (2003).
42. A. V. Emelyanenko, M. A. Osipov, and D. A. Dunmur, Phys. Rev. E 62, 2340 (2000).
43. J. Thisayukta, H. Niwano, H. Takezoe, and J. Watanabe, J. Am. Chem. Soc. 124, 3354 (2002).
44. J. G. Gay and B. J. Berne, J. Chem. Phys. 74, 3316 (1981).
45. D. J. Earl, J. Ilnytskyi, and M. R. Wilson, Mol. Phys. 99, 1719 (2001).