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TITLE: Predicting catalysis: Understanding ammonia synthesis from first-principles calculations
AUTHORS: 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; Norskov, JK; Olsen, RA; Rossmeisl, J; Skulason, E; Tautermann, CS; Varandas, AJC ; Vincent, JK;
PUBLISHED: 2006, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 110, ISSUE: 36
INDEXED IN: Scopus WOS CrossRef: 111