Molecular dynamics calculations for ice Ih

Journal of Physical Chemistry B

Volumn 101, Issue 32, 1997, Pages 6192-6195

  Burnham, C J ^a   Li, J C ^b   Leslie, M ^c  

^a UNIVERSITY OF SALFORD   (United Kingdom)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

^c DARESBURY LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; MOLECULAR DYNAMICS; NEUTRON SCATTERING;

INELASTIC NEUTRON SCATTERING;

ICE;

EID: 0031558348     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9632596     Document Type: Article

References (18)

1. Li, J. C.; Ross, D. K. Nature 1993, 365, 327. Li, J. C. J. Chem. Phys. 1996, 105, 15.
2. Li, J. C.; Ross, D. K. Nature 1993, 365, 327. Li, J. C. J. Chem. Phys. 1996, 105, 15.
3. Li, C. J.; Londono, J. D.; Ross, D. K.; Finney, J. L.; Tomkinson, J.; Sherman, W. F. J. Chem. Phys. 1991, 94, 6770.
4. Li, J. C. J. Phys. Chem., in press.
5. Smith, W. MDCSPC4; Daresbury Laboratory: Daresbury, Warrington, England WA4 4AD, 1991. Smith, W. Program MDCSPC4: Molecular Dynamics Computer Simulation of Molecular Ionic Crystals, Technical Memorandum DL/SCI/TM84T; Daresbury Laboratory: Warrington, 1991.
6. Smith, W. MDCSPC4; Daresbury Laboratory: Daresbury, Warrington, England WA4 4AD, 1991. Smith, W. Program MDCSPC4: Molecular Dynamics Computer Simulation of Molecular Ionic Crystals, Technical Memorandum DL/SCI/TM84T; Daresbury Laboratory: Warrington, 1991.
7. For example see: Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Oxford University Press: Oxford, 1990, p 156.
8. Smith, W. Information Quarterly for MD & MC Simulations, Number 7, Daresbury Laboratory: Warrington, 1982.
9. Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D. J. Chem. Phys. 1983, 79 (2), 926.
10. Morse, M. D.; Rice, S. A. J. Chem. Phys. 1982, 76, 653.
11. Kumagai, N.; Kawamura, K.; Yokowawa, T. Mol. Simul. 1994, 12, 177.
12. Itoh, H.; Kawamura, K.; Hondoh, T.; Mae, S. Physica B 1996, 219,220, 469.
13. Itoh, H. Proceedings of PHONONS95; 1996.
14. Leslie, M. PHONON; Daresbury Laboratory, private communication.
15. Sprik, M.; Klein, M. L. J. Chem. Phys. 1988, 89, 7536. Sprik, M. J. Phys. Chem. 1991, 95, 2283.
16. Sprik, M.; Klein, M. L. J. Chem. Phys. 1988, 89, 7536. Sprik, M. J. Phys. Chem. 1991, 95, 2283.
17. Niesar, U.; Corongiu, G.; Clementi, E.; Kneller, G. R.; Bhattacharya, D. K. J. Phys. Chem. 1990, 94, 7949.
18. Coulson, C. A.; Eisenberg, D. Proc. R. Soc. A 1966, 291, 445.