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

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http://hal.in2p3.fr/in2p3-00981792
Contributor : Rémi Maurice <>
Submitted on : Tuesday, April 22, 2014 - 6:49:43 PM
Last modification on : Saturday, February 27, 2021 - 4:02:05 PM
Long-term archiving on: : Monday, April 10, 2017 - 4:40:33 PM

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Joshua Borycz, Li-Chiang Lin, Eric Bloch, Jihan Kim, Allison Dzuback, et al.. CO2 Adsorption in Fe2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations. Journal of Physical Chemistry C, American Chemical Society, 2014, 118, pp.12230-12240. ⟨10.1021/jp500313j⟩. ⟨in2p3-00981792⟩

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