CO2 Adsorption in Fe2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations

The Journal of Physical Chemistry C

DOI: 10.1021/jp500313j

Joshua Borycz, Li-Chiang Lin, Eric D. Bloch, Jihan Kim, Allison L. Dzubak, Rémi Maurice, David Semrouni, Kyuho Lee, Berend Smit and Laura Gagliardi

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