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Predicting catalysis: understanding ammonia synthesis from first-principles calculations. Tekijä Hellman, A, Baerends, E, Biczysko, M, Bligaard, T, Christensen, C, Clary, D, Dahl, S, van Harrevelt, R, Honkala, K, Jonsson, H, Kroes, G, Luppi, M, Manthe, U, Nørskov, J, Olsen, R, Rossmeisl, J, Skúlason, E, Tautermann, C, Varandas, A, Vincent, J