Predicting Catalysis:  Understanding Ammonia Synthesis from First-Principles Calculations

Anders Hellman(Chalmers University of Technology), Jonathan Vincent(Technical University of Denmark), Mario Luppi(University of Modena and Reggio Emilia), A. J. C. Varandas(Qufu Normal University), Karoliina Honkala(Center for NanoScience), Egill Skúlason(University of Iceland), Rob van Harrevelt(Technical University of Denmark), Geert–Jan Kroes(Technical University of Denmark), Małgorzata Biczysko(University of Wrocław), Hannes Jónsson(University of Iceland), Christofer S. Tautermann(Technical University of Denmark), Jens K. Nørskov(Technical University of Denmark), Uwe Manthe(Bielefeld University), Thomas Bligaard(Technical University of Denmark), Jan Rossmeisl(University of Copenhagen), Søren Dahl(Technical University of Denmark), E. J. Baerends(Technical University of Denmark), David C. Clary(Oxford Centre for Mission Studies), C. H. Christensen(Technical University of Denmark), R. A. Olsen(Oilfield Technology Group (Norway))
The Journal of Physical Chemistry B
September 1, 2006
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