Understanding the nature of water bound to solid acid surfaces. Ab initio simulation on HSAPO-34

Journal of the American Chemical Society

Volumn 120, Issue 33, 1998, Pages 8512-8516

  Termath, Volker ^a   Haase, Frank ^a   Sauer, Joachim ^a   Hutter, Jürg ^a   Parrinello, Michele ^a  

^a HUMBOLDT UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM PHOSPHATE; SILICON; WATER;

ACID BASE BALANCE; ARTICLE; CHEMICAL INTERACTION; MOLECULAR INTERACTION; PH; SIMULATION; STRUCTURE ANALYSIS; WATER ABSORPTION;

EID: 0032569163     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja981549p     Document Type: Article

References (16)

1. Cleland, W. W.; Kreevoy, M. M. Science 1994, 264, 1887.
2. Pelmenschikov, A. G.; van Wolput, J. H. M. C.; Jänchen, J.; van Santen, R. A. J. Phys. Chem. 1995, 99, 3612.
3. Jobic, H.; Tuel, A.; Krossner, M.; Sauer, J. J. Phys. Chem. 1996, 100, 19545.
4. Wakabayashi, F.; Kondo, J. N.; Korose, C. J. Phys. Chem. 1996, 100, 1442.
5. Krossner, M.; Sauer, J. J. Phys. Chem. 1996, 100, 6199.
6. Zygmunt, S. A.; Curtiss, L. A.; Iton, L. E.; Erhardt, M. K. J. Phys. Chem. 1996, 100, 6663.
7. Smith, M. K.; Cheetham, A. K.; Morris, R. E.; Marchese, L.; Thomas, J. M.; Wright, P. A.; Chen, J. Science 1996, 271, 799.
8. Chem. Eng. News 1996, 74 (7), 9.
9. Chem. Ind. (GB) 1996, 4, 117.
10. Sauer, J. Science 1996, 271, 774.
11. Gale, J. D. Faraday Trans. 1997, 93 629.
12. Sierka, M.; Sauer, J. Faraday Discuss. 1997, 106, 41.
13. Sastre, G.; Lewis, D. W.; Catlow, C. R. A. J. Phys. Chem. 1996, 100 6722.
14. Schröder, K.-P.; Sauer, J. J. Phys. Chem. 1993, 97 6579.
15. Termath, V.; Sauer, J. Mol. Phys. 1997, 91, 963.
16. http://www.chemie.hu-berlin.de/sonst/agqc.