Clusters stuffed inside frameworks: Electronic structure theory

Journal of Computer-Aided Materials Design

Volumn 3, Issue 1-3, 1996, Pages 128-138

  Demkov, Alexander A ^a   Sankey, Otto F ^a  

^a ARIZONA STATE UNIVERSITY   (United States)

Author keywords

Clusters; Electronic structure; Supralattices; Zeolites

Indexed keywords

CRYSTAL ATOMIC STRUCTURE; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE;

SUPRALATTICES;

ZEOLITES;

EID: 0030201973     PISSN: 09281045     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF01185645     Document Type: Article

References (37)

1. Smith, J.V., Chem. Rev., 88 (1988) 149.
2. Meier, W.M. and Olson, D.H., Atlas of Zeolite Structure Types, 3th ed., Butterworth-Heinemann, London, U.K., 1992.
3. Dyer, A., Chem. Industry, 241 (1984).
4. MacDougall, J.E. and Stuckey, G.D., In Reynolds, P.J. (Ed.) On Clusters and Clustering, From Atoms to Fractals, Elsevier, Amsterdam, The Netherlands, 1993, p. 273.
5. a. Bogomolov, V.N., Lutsenko, E.L., Petranovskii, V.P. and Kholodkevich, S.V., J. Expt. Theor. Phys. Lett., 23 (1976) 483.
6. b. Bogomolov, V.N., Kholodkevich, S.V., Romanov, S.G. and Agroskin, L.S., Sol. State Commun., 47 (1983) 181.
7. Wang, Y. and Herron, N., J. Phys. Chem., 92 (1988) 4988.
8. MacDougall, J.E., Eckert, H., Stucky, G.D., Herron, N., Wang, Y., Moller, K., Bein, T. and Cox, D., J. Am. Chem. Soc., 111 (1989) 8006.
9. Tamura, K., Hosokawa, S., Endo, H., Yamasaki, S. and Oyanagi, H., J. Phys. Soc. Jpn., 55 (1986) 528.
10. Katayama, Y., Yao, M., Ajiro, Y., Inui, M. and Endo, H., J. Phys. Soc. Jpn., 58 (1989) 1811.
11. Parise, J.B., MacDougall, J.E., Herron, N., Farlee, R., Sleight, A.W., Wang, Y., Bein, T., Moller, K. and Moroney, L.M., Inorg. Chem., 27 (1988) 221.
12. Smeulders, J.B., Hefni, M.A., Klaassen, A.A.K., De Boer, E., Westphal, U. and Geismar, G., Zeolites, 7 (1987) 347.
13. Moller, K., Bein, T., Herron, N., Mahler, W. and Wang, Y., Inorg. Chem., 28 (1989) 2914.
14. Samant, M.G. and Boudart, M., J. Phys. Chem., 95 (1991) 4070.
15. Blatter, F., Blazey, R.W. and Portis, A.M., Phys. Rev., B44 (1991) 2800.
16. Sun, T. and Seff, K., J. Phys. Chem., 97 (1993) 5213.
17. Stucky, G.D. and MacDougall, J.E., Science, 247 (1990) 669.
18. Ozin, G.A., Kuperman, A. and Stein, A., Angew. Chem. Int. Ed. Engl., 28 (1989) 359.
19. Demkov, A.A. and Sankey, O.F., In Pinnavaia, T.J. and Thorpe, M.F. (Eds.) Access in Nanoporous Materials, Plenum, New York, NY, 1995, p. 273.
20. Payne, M.C., Teter, M.P., Allan, D.C., Arias, T.A. and Joannopoulos, J.D., Rev. Mod. Phys., 64 (1992) 1045.
21. Harris, J., Phys. Rev., B31 (1985) 1770.
22. Sankey, O.F., Niklewski, D.J., Phys. Rev., B40 (1989) 3979.
23. Demkov, A.A., Ortega, J., Sankey, O.F. and Grumbach, M.P., Phys. Rev., B52 (1995) 1618.
24. Allen, M.P. and Tildsley, D.J., Computer Simulations of Liquids, Clarendon, Oxford, U.K., 1992.
25. Kasper, J.S., Hagenmuller, P., Pouchard, M. and Cros, C., Science, 150 (1965) 1713.
26. Cros, C., Pouchard, M., Hagenmuller, P. and Kasper, J.S., Bull. Soc. Chim. Fr., 7 (1968) 2737.
27. Cros, C., Pouchard, M. and Hagenmuller, P., J. Sol. State Chem., 2 (1970) 570.
28. Cros, C., Pouchard, M. and Hagenmuller, P., Bull. Soc. Chim. Fr., 2 (1971) 379.
29. Roy, S.B., Sim, K.E. and Caplin, A.D., Phil. Mag., B65 (1992) 1445.
30. Mott, N.F., J. Sol. State Chem., 6 (1973) 348.
31. Demkov, A.A., Sankey, O.F., Schmidt, K.E., Adams, G.B. and O'Keeffe, M., Phys. Rev., B50 (1994) 17001.
32. Sankey, O.F., Niklewski, D.J., Drabold, D.A. and Dow, J.D., Phys. Rev., B41 (1990) 12750.
33. Ragavachari, K. and Logovinsky, V., Phys. Rev. Lett., 55 (1986) 2853.
34. Tomanek, D. and Schlüter, M.A., Phys. Rev., B36 (1987) 1208.
35. Blake, N.P., Srdanov, V.I. and Matiu, H., J. Phys. Chem., 99 (1995) 2127.
36. Jansen, R.W. and Sankey, O.F., Phys. Rev., B36 (1987) 6520.
37. Chowdhury, A.Z. and Nasu, K., J. Phys. Chem. Solids., 56 (1995) 1193.