Theoretical study of NO decomposition on Cu-ZSM-5 catalyst models using the density functional method

Journal of Physical Chemistry

Volumn 100, Issue 34, 1996, Pages 14424-14429

  Yokomichi, Yasunori ^a   Yamabe, Tokio ^a   Ohtsuka, Hirofumi ^b   Kakumoto, Terumitsu ^b  

^a KYOTO UNIVERSITY   (Japan)

^b OSAKA GAS CO LTD   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 12844281270     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp960403e     Document Type: Article

References (11)

1. Iwamoto, M.; Yahiro, H. Catal. Today 1994, 22, 5-18.
2. Lei, G. D.; Adelman, B. J.; Sarkany, J.; Sachtler W. M. H. Appl. Catal. B 1995, 5, 245-256.
3. Hrusak, J.; Koch, W.; Schwarz, H. J. Chem. Phys. 1994, 101, 3898-3905.
4. MaKee, M. L. J. Am. Chem. Soc. 1995, 117, 1629-1637.
5. Yokomichi, Y.; Ohtsuka, H.; Tabata, T.; Okada, O.; Yokoi, Y.; Ishikawa, H.; Yamaguchi, R.; Matsui, H.; Tachibana, A.; Yamabe, T. Catal. Today 1995, 25, 431-437.
6. Frisch, M.; Foresman, J.; Frisch, A. Gaussian 92/DFT; Gaussian Inc.: Pittsburgh, PA, 1992.
7. Frisch, M.; Foresman, J.; Frisch, A. Gaussian 94; Gaussian Inc.: Pittsburgh, PA, 1994.
8. Huzinaga, S. Gaussian Basis Sets for Molecular Calculations; Elsevier: Amsterdam, 1984.
9. Chase, M. W., Jr.; Davies, C. A.; Downey, J. R., Jr.; Frurip, D. J.; McDonald, R. A.; Syverud, A. N. J. Phys. Chem. Ref. Data 1985, 14, 1560.
10. Herzberg, G. Molecular Spectra and Molecular Structure I. Spectra of Diatomic Molecules, 2nd ed.; D. van Nostrand Co. Inc.: Princeton, NJ, 1950.
11. Valyon, J.; Hall, J. K. J. Phys. Chem. 1993, 97, 1204.