Development of a new force field for polynorbornene

Journal of Physical Chemistry B

Volumn 102, Issue 49, 1998, Pages 9783-9790

  Ahmed, S ^a   Bidstrup, S A ^a   Kohl, P A ^a   Ludovice, P J ^a  

^a Georgia Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001160527     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9814294     Document Type: Article

References (47)

1. Grove, N. R.; Zhao, Q.; Kohl, P. A.; Bidstrup-Allen, S. A.; Shick, R. A.; Goodall, B. L.; McIntosh, L. H.; Jayaraman, S. Adv. Microelectron. 1996, 23, 16.
2. Grove, N. R.; Zhao, Q.; Kohl, P. A.; Bidstrup-Allen, S. A.; Shick, R. A.; Goodall, B. L.; McIntosh, L. H.; Jayaraman, S. IEEE Multichip Module Conf. Proc. 1997.
3. HOECHST Magazin Future IV 1995, 52.
4. HOECHST Magazin Future IV Special Science 1 1995, 32.
5. Osan, F.; Hatke, W.; Helmer-Metzmann, F.; Jacobs, A.; Land, H. T.; Weller, T. Cycloolefinic Copolymers; Lecture Bayreuth Polymer Symposium, 1995.
6. Czornyj, G.; Asano, M.; Beliveau, R. L.; Garrou, P.; Hiramoto, H.; Ikeda, A.; Kreuz, J. A.; Rohde, O. In Microelectronics Packaging Handbook Part II; Tummala, R. R., Rymaszewski, E. J., Klopfenstein, A. G., Eds.; Chapman & Hall: New York, 1997; p 548.
7. Pierce, D. W.; Realff, M. J. Comput. Chem. Eng. Suppl Part B 1996, 20, S1307.
8. Hasel wander, T. F. A.; Heitz, W.; Krugel, S. A.; Wendorff, J. H. Macromolecules 1997, 30, 5345.
9. Haselwander, T. F. A.; Heitz, W.; Krugel, S. A.; Wendorff, J. H. Macromol. Chem. Phys. 1996, 197, 3435.
10. Arndt, M.; Engehausen, R.; Kaminsky, W.; Zoumis, K. J. Mol. Catal. A: Chem. 1995, 101, 171.
11. Kaminsky, W.; Noll, A. Polym. Bull. 1993, 31, 175.
12. Arndt, M.; Kaminsky, W. Macromol. Symp. 1995, 97, 225-246.
13. Ahmed, S.; Allen, S. A.; Kohl, P.; Ludovice, P. J. Macromol. Chem.: Macromol. Symp., in press.
14. Allinger, L. A.; Burkert, U. Molecular Mechanics; American Chemical Society: Washington, DC, 1982.
15. Ahmed, S. A.; Allen, S. A.; Kohl, P.; Ludovice, P. J. "Computer Simulation of Polymers for Dielectric Applications". Proc. Soc. Plast. Eng ANTEC Meeting, 1996, 2, 2179.
16. Hutnik, M.; Suter, U. W. Polym. Prepr. 1987, 28, 293.
17. Hutnik, M.; Argon, A.; Suter, U. W. Macromolecules 1991, 24, 5956.
18. Gentile, F. T.; Suter, U. W. In Encyclopedia of Polymer Science; Haanseen, P., Kramer, E., Eds.; VCH Publishers: New York, 1993.
19. Galiatsatos, V. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1995; Vol. 6, p 149.
20. Foresman, J. B.; Frisch, A. Exploring Chemistry with Electronic Structure Methods: A Guide to Using Gaussian; Gaussian: Pittsburgh, PA, 1993.
21. Hehre, W. J.; Radom, L.; Schleyer, P.; Pople, J. A. Ab Initio Molecular Orbital Theory; John Wiley: New York, 1986.
22. Dinur, U.; Hagler, A. T. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1991; Vo. 2, p 99.
23. Gaussian 92/DFT, Revision G.4; Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Wong, M. W.; Foresman, J. B.; Robb, M. A.; Head-Gordon, M.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian: Pittsburgh, PA, 1993.
24. Hehre, W. J.; Stewart, R. F.; Pople, J. A. J. Chem. Phys. 1969, 51, 2657.
25. Krishnan, R.; Frisch, M. J.; Pople, J. A. J. Chem. Phys. 1980, 72, 4244.
26. Fogarasi, G.; Pulay, P. Vibr. Spectra Struct. 1985, 14, 125.
27. Stewart, J. J. P. Frank J. Seiler Research Laboratory, United States Air Force Academy, CO 80840, 1990.
28. Pople, J. A.; Santry, D. P.; Segal, G. A. J. Chem. Phys. 1965, 43, S129.
29. Pople, J. A.; Segal, G. A. J. Chem. Phys. 1965, 43, S136.
30. Dewar, M. J. S.; Thiel, W. J. Am. Chem. Soc. 1977, 99, 4899.
31. Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. J. Am. Chem. Soc. 1985, 107, 3902.
32. Stewart, J. J. P. J. Comput. Chem. 1989, 10, 209.
33. Becke, A. D. Phys. Rev. A. 1988, 38, 3098.
34. Perdew, J. P. Electronic Structure of Solids; Siesche, P., Eschring, H., Eds.; Akademie Verlag: Berlin, 1991; Vol. 4.
35. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
36. Mayo, S. L.; Olafson, B. D.; Goddard, W. A. J. Phys. Chem. 1990, 32, 8897.
37. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187.
38. Quanta Version 3.3 Parameter Handbook; Molecular Simulations: Waltham, MA, 1992.
39. Wiberg, K. B.; Dailey, W. P.; Walker, F. H.; Waddell, S. T.; Crocker, L. S.; Newton, M. J. Am. Chem. Soc. 1985, 107, 7247.
40. Shaw, R. A.; Castro, C.; Dutler, R.; Rauk, A.; Wieser, H. J. Chem. Phys. 1988, 89, 716.
41. Pulay, P.; Fogarasi, G.; Pang, F.; Boggs, J. E. J. Am. Chem. Soc. 1979, 101, 2550.
42. Wiberg, K. B.; Rosenberg, R. E. J. Phys. Chem. 1992, 96, 8282.
43. Wiberg, K. B.; Rosenberg, R. E.; Waddell, S. T. J. Phys. Chem. 1992, 96, 8294.
44. Jaffe, R. NASA-Ames Research Center, Moffett Field, CA (unpublished results).
45. Stewart, J. J. P. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1990; Vol. 1, p 45.
46. Gee, R.; Boyd, R. Comput. Theor. Polym. Sci. 1998, 8, 93-98.
47. Molecular Simulations Inc., 9685 Scranton Rd., San Diego, CA 92121.