CO<SUB>2</SUB> Adsorption in Fe<SUB>2</SUB>(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations - IN2P3 - Institut national de physique nucléaire et de physique des particules Access content directly
Journal Articles Journal of Physical Chemistry C Year : 2014

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

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in2p3-00981792 , version 1 (22-04-2014)

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