Treatment of multibody interactions in molecular simulations of systems with general bond networks

Journal of Computational Chemistry

Volumn 18, Issue 12, 1997, Pages 1513-1522

  Tuzun, Robert E ^a   Noid, Donald W ^a   Sumpter, Bobby G ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

General bond network; Geometric statement function; Internal coordinates; Molecular simulation; Polymer

Indexed keywords

EID: 0000694764     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199709)18:12<1513::AID-JCC8>3.0.CO;2-M     Document Type: Article

References (15)

1. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford, 1987.
2. K. J. Miller, R. J. Hinde, and J. Anderson, J. Comput. Chem., 10, 63 (1989).
3. K. J. Miller, J. Comput. Chem. 11, 336 (1990) and references therein.
4. D. W. Noid, B. G. Sumpter, B. Wunderlich, and G. A. Pfeffer, J. Comput. Chem., 11, 236 (1990).
5. R. E. Tuzun, D. W. Noid, and B. G. Sumpter, Macromol. Theory Simul, 6, 771 (1996) and references therein.
6. H. Bekker, H. J. C. Berendsen, and W. F. vanGunsteren, J. Comput. Chem., 16, 527 (1995) and references therein.
7. B. Jung, Makromol. Chem., Theory Simul., 2, 673 (1993).
8. N. L. Allinger and A. Pathiaseril, J. Comput. Chem., 8, 1225 (1987).
9. N. L. Allinger, F. Li, and L. Yan, J. Comput. Chem., 11, 848 (1990).
10. N. L. Allinger, F. Li, L. Yan, and J. C. Tai, J. Comput. Chem., 11, 868 (1990).
11. N. Nevins, K. Chen, and N. L. Allinger, J. Comput. Chem., 17, 669 (1996).
12. N. Nevins and N. L. Allinger, J. Comput. Chem., 17, 695 (1996).
13. R. E. Tuzun, D. W. Noid, and B. G. Sumpter, J. Comput. Chem., to appear.
14. R. E. Tuzun, D. W. Noid, and B. G. Sumpter, J. Chem. Phys., 105, 5494 (1996).
15. R. E. Tuzun, D. W. Noid, and B. G. Sumpter, Nanotechnology, to appear.