Quantum mechanical studies of the energetics of ionic defects in icelike systems

Journal of Physical Chemistry B

Volumn 101, Issue 32, 1997, Pages 6247-6250

  Moore Plummer, Patricia L ^a  

^a UNIVERSITY OF MISSOURI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CRYSTAL DEFECTS; CRYSTAL LATTICES; IONS; MATHEMATICAL MODELS; MOLECULES; PROTONS; QUANTUM THEORY; RELAXATION PROCESSES;

IONIC DEFECTS;

ICE;

EID: 0031558368     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (20)

1. Plummer, P. L. M. Physics and Chemistry of Ice; Maeno, N., Hondoh, T., Eds.; Hokkaido University Press: 1992; pp 54-61.
2. Plummer, P. L. M. J. Phys. 1987, 48 (C1), 45.
3. Series of joint CRREL-Dartmouth reports entitled Ice Physics, especially 94-4, The Structure of Ordinary Ice, Part II; Defects in Ice, Vol. 1 Point Defects, by V. F. Petrenko and R. W. Whitworth, April, 1994.
4. Tsai, C. J.; Jordan, K. D. J. Phys. Chem. 1993, 97, 5208. Tsai, C. J.; Jordan, K. D. J. Chem. Phys. 1991, 95, 3850.
5. Tsai, C. J.; Jordan, K. D. J. Phys. Chem. 1993, 97, 5208. Tsai, C. J.; Jordan, K. D. J. Chem. Phys. 1991, 95, 3850.
6. Plummer, P. L. M. Book of Abstracts, 211th National Meeting of the American Chemical Society, New Orleans, LA, Mar 1996;
7. American Chemical Society: Washington, DC, 1996; COMP 164; THEOCHEM, in press.
8. Stillinger, F. H.; David, C. W. J. Chem. Phys. 1980, 73, 3384.
9. Møller, C.; Plesset, M. S. Phys. Rev. 1934, 46, 618.
10. Gaussian 94 (Rev. C-3); Gaussian, Inc.: Pittsburgh, PA, 1995.
11. Xantheas, S. S.; Dunning, T. S. J. Chem. Phys. 1993, 98, 8037.
12. Plummer, P. L. M.; Chen, T. S. J. Phys. Chem. 1983, 87, 4190.
13. Plummer, P. L. M.; Chen, T. S. J. Chem. Phys. 1987, 86, 7149.
14. Khan, A. J. Phys. Chem. 1995, 99, 12450.
15. Brink, G.; Glasser, L. J. Phys. Chem. 1984, 88, 3412.
16. Mullikan, R. S. J. Phys. Chem. 1952, 56, 295.
17. Takei, I.; Maeno, N. J. Phys. 1987, 48 (C1), 121.
18. Maeno, N.; Nishimura, H. J. Glaciol. 1978, 21, 193.
19. Petrenko, V. F. Electrical Properties of Ice. CRREL Report 93-20; Aug 1993. Petrenko, V. F.; Chesnaknov, V. A. Sov. Phys. Solid State (also known as Fiz. Tverd. Tela) 1990, 32, 2368.
20. Petrenko, V. F. Electrical Properties of Ice. CRREL Report 93-20; Aug 1993. Petrenko, V. F.; Chesnaknov, V. A. Sov. Phys. Solid State (also known as Fiz. Tverd. Tela) 1990, 32, 2368.