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Fig. A.2.

image

Metadynamics (MetD) bias, in kcal mol−1, necessary for converting, at 650 K, HCHO and NH3 into formamide and H2 (reaction (2)). Data points represent the bias deposed in the reactants portion of the collective variables space referred to three parallel simulations performed by employing gaussian heights equal to 4.8 kcal mol−1.

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