Extended Data Fig. 1: Periodic and cluster models used in theoretical studies of MOF catalysts. | Nature Chemistry

Extended Data Fig. 1: Periodic and cluster models used in theoretical studies of MOF catalysts.

From: Introducing metal–sulfur active sites in metal–organic frameworks via post-synthetic modification for hydrogenation catalysis

Extended Data Fig. 1

a, Structural models of M2X2BBTA. b, Structural models of M-MFU-4l-X. Both periodic and cluster models were used to represent the local coordination environments and extended structures (M = Co, Ni; X = Cl, OH, SH). Colour coding follows that used in Fig. 2.

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