Predicting Catalysis:  Understanding Ammonia Synthesis from First-Principles Calculations

  • A. Hellman, E. J. Baerends, M. Biczysko, T. Bligaard, C. H. Christensen, D. C. Clary, S. Dahl, R. van Harrevelt, K. Honkala, H. Jonsson, G. J. Kroes, M. Luppi, U. Manthe, J. K. Nørskov, R. A. Olsen, J. Rossmeisl, E. Skúlason, C. S. Tautermann, A. J. C. Varandas, J. K. Vincent
  • The Journal of Physical Chemistry B, September 2006, American Chemical Society (ACS)
  • DOI: 10.1021/jp056982h

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http://dx.doi.org/10.1021/jp056982h

The following have contributed to this page: Professor António Joaquim de Campos Varandas