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Multidimensional effects on dissociation of N2 on Ru(0001).
Díaz C, Vincent JK, Krishnamohan GP, Olsen RA, Kroes GJ, Honkala K, Nørskov JK. Díaz C, et al. Among authors: honkala k. Phys Rev Lett. 2006 Mar 10;96(9):096102. doi: 10.1103/PhysRevLett.96.096102. Epub 2006 Mar 8. Phys Rev Lett. 2006. PMID: 16606281 Free article.
Predicting catalysis: understanding ammonia synthesis from first-principles calculations.
Hellman A, Baerends EJ, Biczysko M, Bligaard T, Christensen CH, Clary DC, Dahl S, van Harrevelt R, Honkala K, Jonsson H, Kroes GJ, Luppi M, Manthe U, Nørskov JK, Olsen RA, Rossmeisl J, Skúlason E, Tautermann CS, Varandas AJ, Vincent JK. Hellman A, et al. Among authors: honkala k. J Phys Chem B. 2006 Sep 14;110(36):17719-35. doi: 10.1021/jp056982h. J Phys Chem B. 2006. PMID: 16956255
Ammonia synthesis from first-principles calculations.
Honkala K, Hellman A, Remediakis IN, Logadottir A, Carlsson A, Dahl S, Christensen CH, Nørskov JK. Honkala K, et al. Science. 2005 Jan 28;307(5709):555-8. doi: 10.1126/science.1106435. Science. 2005. PMID: 15681379
35 results