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Volumn 61, Issue 4, 1997, Pages 683-688

Density functional investigation of the mechanism of the selective catalytic reduction of NO by NH3 over vanadium oxide model clusters

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EID: 0000867780     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1997)61:4<683::AID-QUA10>3.0.CO;2-7     Document Type: Article
Times cited : (33)

References (42)
  • 28
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    • (1985) J. Chem. Phys. , vol.83 , pp. 4573
    • Andzelm, J.1    Radzio, E.2    Salahub, D.R.3
  • 29
    • 36549104333 scopus 로고
    • V. H. Smith, H. F. Schaefer, and K. Morokuma, Eds. Reidel, Dordrecht
    • J. Andzelm, E. Radzio, and D. R. Salahub, J. Chem. Phys. 83, 4573 (1985); D. R. Salahub, in: Applied Quantum Chemistry, V. H. Smith, H. F. Schaefer, and K. Morokuma, Eds. (Reidel, Dordrecht, 1986), p. 186.
    • (1986) Applied Quantum Chemistry , pp. 186
    • Salahub, D.R.1
  • 31
    • 0001100031 scopus 로고
    • D. R. Salahub, R. Fournier, P. Mlynarski, I. Papai, A. StAmant, and J. Ushio, in Density Functional Methods in Chemistry, J. K. Labanowski and J. W. Andzelm, Eds. (Springer, New York, 1991), p. 77; D. R. Salahub, Adv. Chem. 69, 447 (1987).
    • (1987) Adv. Chem. , vol.69 , pp. 447
    • Salahub, D.R.1
  • 33
    • 0011973733 scopus 로고
    • A. D. Becke, J. Chem. Phys. 88, 2457 (1988); A. D. Becke, Phys. Rev. A 38, 3098 (1988).
    • (1988) J. Chem. Phys. , vol.88 , pp. 2457
    • Becke, A.D.1
  • 34
    • 4243553426 scopus 로고
    • A. D. Becke, J. Chem. Phys. 88, 2457 (1988); A. D. Becke, Phys. Rev. A 38, 3098 (1988).
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.D.1
  • 35
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    • J. P. Perdew, Phys. Rev. B 33, 8822 (1986); Ibid. 34, 7046 (1986).
    • (1986) Phys. Rev. B , vol.33 , pp. 8822
    • Perdew, J.P.1
  • 36
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    • J. P. Perdew, Phys. Rev. B 33, 8822 (1986); Ibid. 34, 7046 (1986).
    • (1986) Phys. Rev. B , vol.34 , pp. 7046


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