Adsorption of methanol on zeolite Y: An atomistic and quantum chemical study

Studies in Surface Science and Catalysis

Volumn 154 C, Issue , 2004, Pages 2739-2744

  Plant, D F ^a   Simperler, A ^a   Bell, R G ^a  

^a DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CESIUM; LITHIUM; POTASSIUM; RUBIDIUM; SODIUM; ZEOLITE;

ADSORPTION; CALCULATION; CHEMICAL STRUCTURE; CONFERENCE PAPER; DENSITY FUNCTIONAL THEORY; ENERGY; GEOMETRY; MOLECULAR MODEL; MONTE CARLO METHOD; QUANTUM MECHANICS; STRUCTURE ANALYSIS;

EID: 11844285646     PISSN: 01672991     EISSN: None     Source Type: Book Series    
DOI: 10.1016/s0167-2991(04)80548-2     Document Type: Conference Paper

References (20)

1. Vayssilov, G. N., Lercher, J. A. and Rosch, N., J. Phys. Chem. B, 104 (2000), 8614-8623.
2. Gale, J. D., Shah, R., Payne, M. C., Stich, I. and Terakura, K., Catalysis Today, 50 (1999), 525-532.
3. Gale, J. D., Payne, M. C., Stich, I. and Terakura, K., J. Am. Chem. Soc., 121 (1999), 3292-3302.
4. Engelhardt, J., Szanyi, J. and Valyon, J., J. Catal, 107 (1987), 296-306.
5. Philippou, A. and Anderson, M. W., J. Am. Chem. Soc., 116 (1994), 5774-5783.
6. Sinclair, P. E. and Catlow, C. R. A., J. Chem. Soc., Faraday Trans., 93 (1997), 333-45.
7. Payne, M. C., Hytha, M., Stich, I., Gale, J. D. and Terakura, K., Microporous Mesoporous Mater., 48 (2001), 375-381.
8. Campbell, S. M., Jiang, X. Z. and Howe, R. T.,Microporous Mesoporous Mater., 29 (1999), 91-108.
9. Vos, A. M., Rozanska, X., Schoonheydt, R. A., Santen, R. A. v., Hutschka, F. and Hafher, J., J. Am. Chem. Soc., 123 (2001), 2799-2809.
10. Itoh, H., Miyamoto, A. and Murakami, Y., J. Catal., 64 (1980), 284-294.
11. Hunger, M., Schenk, U. and Weitkamp, J., J. Mol. Catal. A, 134 (1998), 97-109.
12. Ivanova, I. I. and Corma, A., J. Am. Chem. Soc., 101 (1997), 547-551.
13. Hunger, M., Schenk, U., Seiler, M. and Weitkamp, J., J. Mol. Catal. A, 156 (2000), 153-161.
14. Palomeres, A. E., Eder-Mirth, G., Rep, M. and Lercher, J. A., J. Catal., 180 (1998), 56-65.
15. Freeman, C. M., Catlow, C. R. A. and Thomas, J. M., Chem. Phys. Lett., 186 (1991), 137-142.
16. Hill, J.-R.; Sauer, J. J. Phys. Chem., 98 (1994), 1238-1244.
17. Perdew, J. P. and Wang, Y., Phys. Rev. B, 33 (1986), 8822.
18. Hehre, W. J., Ditchfield, J. A. and Pople, J. A., J. Chem. Phys., 56 (1972), 2257.
19. DMol v.3.9; Accelrys, Inc.: San Diego, CA, (2000).
20. Rep, M., Palomeres, A. E., Eder-Mirth, G., van Ommen, J. G., Rosch, N. and Lercher, J. A., J. Phys. Chem. B, 104 (2000), 8624-8630.