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CO2 Adsorption in Fe-2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations Borycz, Joshua; Lin, Li-Chiang; Bloch, Eric D.; Kim, Jihan; Dzubak, Allison L.; Maurice, Remi; Semrouni, David; et al, JOURNAL OF PHYSICAL CHEMISTRY C, v.118, no.23, pp.12230 - 12240, 2014-06 |
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