Ice nanotube: what does the unit cell look like?

Journal of Chemical Physics

Volumn 113, Issue 12, 2000, Pages 5037-5040

  Koga, Kenichiro ^a   Parra, Ruben D ^b   Tanaka, Hideki ^c   Zeng, X C ^b  

^a FUKUOKA UNIVERSITY OF EDUCATION   (Japan)

^b UNIVERSITY OF NEBRASKA LINCOLN   (United States)

^c OKAYAMA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; HYDROGEN BONDS; MOLECULAR STRUCTURE; MOLECULES; NANOTUBES; POTENTIAL ENERGY; QUANTUM THEORY; WATER;

AB INITIO MOLECULAR ORBITAL METHOD; GONAL RINGS; ICE NANOTUBE; UNIT CELL STRUCTURE;

ICE;

EID: 0034275042     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1289554     Document Type: Article

References (15)

1. R. Radhakrishnan, K. E. Gubbins, A. Watanabe, and K. Kaneko, J. Chem. Phys. 111, 9058 (1999).
2. K. Morishige and K. Kawano, J. Chem. Phys. 110, 4867 (1999).
3. W. Q. Han, S. S. Fan, Q. Q. Li, and Y. D. Hu, Science 277. 1287 (1997).
4. Q. Jiang, N. Aya, and F. G. Shi, Appl. Phys. A: Mater. Sci. Process. 64, 627 (1997).
5. D. Eisenberg and W. Kauzmann, The Structure and Properties of Water (Oxford University Press, London, 1969).
6. F. H. Stillinger and T. A. Weber, Science 225, 983 (1984).
7. C. J. Tsai and K. D. Jordan, J. Phys. Chem. 97, 5208 (1993).
8. D. J. Wales and I. Ohmine, J. Chem. Phys. 98, 7245 (1993).
9. V. Carravetta and E. Clementi, J. Chem. Phys. 81, 2646 (1984).
10. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983).
11. A. Pohorille, L. R. Pratt, R. A. LaViolette, M. A. Wilson, and M. A. MacElroy, J. Chem. Phys. 87, 6070 (1987).
12. I. Ohmine, H. Tanaka, and P. G. Wolynes, J. Chem. Phys. 89, 5852 (1988).
13. GAUSSIAN 98, Revision A.7, M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., Gaussian, Inc. Pittsburgh, PA (1998).
14. U. Niesar, G. Corongiu, E. Clementi, G. R. Kneller, and D. K. Bhattacharya, J. Phys. Chem. 94, 7949 (1990).
15. C. Cavazzoni, G. L. Chiarotti, S. Scandolo, E. Tosatti, M. Bernasconi, and M. Parrinello, Science 283, 44 (1999).