Significance of higher-order many-body interaction energy terms in water clusters and bulk water

Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties

Volumn 73, Issue 1, 1996, Pages 107-115

  Xantheas, Sotiris S ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000280563     PISSN: 13642812     EISSN: None     Source Type: Journal    
DOI: 10.1080/13642819608239116     Document Type: Article

References (23)

1. Boys, S. F., and Bernardi, F., 1970 Molec. Phys., 19, 553.
2. Caldwell, J., Dang, L. X., and Kollman, P. A., 1990, J. Am. chem. Soc., 112, 9144.
3. Cieplak, P., and Kollman, P., 1990, J. chem. Phys., 92, 6755.
4. Clementi, E., and Corongiu, G., 1983, Int. J. quant. Chem., S10, 31.
5. Dang, L. X., 1992, J. chem. Phys., 97, 2659.
6. Dang, L. X., Rice, J. E., Caldwell, J., and Kollman, P. A., 1991, J. Am. chem. Soc., 113, 2481.
7. Detrich, J., Corongiu, G., and Clementi, E., 1984, Chem. Phys. Lett., 112, 426.
8. Dunning, T. H., Jr., 1989, J. chem. Phys., 90, 1007.
9. Frisch, M. J., Trucks, G. W., Head-Gordon, M., Gill, P. M. W., Wong, M. W., Foresman, J. B., Johnson, B. G., Schlegel, H. B., Robb, M. A., 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., and Pople, J. A., 1992, GAUSSIAN 92, Revision C, Pittsburgh, Pennsylvania: Gaussian, Inc.
10. Hankins, D., Moskowitz, J. W., and Stillinger, F. H., 1970, J. chem. Phys., 53, 4544.
11. Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W., and Klein, M. L., 1983, J. chem. Phys., 79, 926.
12. Kendall, R. A., Dunning, T. H., Jr., and Harrison, R. J., 1992, J. chem. Phys., 96, 6796.
13. Lybrand, T. P., and Kollann, P. A., 1985, J. chem. Phys., 83, 2923.
14. Matsuoka, O., Clementi, E., and Yoshimine, M., 1976, J. chem. Phys., 64, 1351.
15. McDonald, I. R., and Klein, M. L., 1978, Discuss Faraday Soc., 66, 48
16. Mó, O, and Yänez, M., 1992, J. chem. Phys., 97, 6628.
17. Narten, A. H., and Levy, H. A., 1971 J. chem. Phys., 55, 2263.
18. Reimers, J. R., Watts, R. O., and Klein, M. L., 1982, Chem. Phys., 64, 95.
19. Watanabe, K., and Klein, M. L., 1989, Chem. Phys., 131, 157.
20. White, J. C., and Davidson, E. R., 1990, J. chem. Phys., 93, 8029.
21. Xantheas, S. S., 1994, J. chem. Phys., 100, 7523.
22. Xantheas, S. S., and Dunning, T. H., Jr., 1993a, J. chem. Phys., 98,8037
23. Xantheas, S. S., and Dunning, T. H., Jr., 1993b, J. chem. Phys, 99, 8774.