Martin (2013)

R. L. Martin, L.-C. Lin, K. Jariwala, B. Smit, and M. Haranczyk, Mail-Order Metal–Organic Frameworks (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially Available Organic Molecules J Phys Chem C  (2013) 117 (23), 12159

About the Cover: Potential energy surface of methane in a hypothetical structural analogue of MOF-5. A database of hypothetical structural analogues of MOF-5, an archetypal metal–organic framework, was constructed by substituting the bridging ligand for various commercially available dicarboxylic acids. The database was characterized for geometric properties and methane adsorption performance. The material with the highest simulated gravimetric methane uptake at 35 bar is illustrated with its potential energy surface. 

© Berend Smit 2019