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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Theoretical and/or physical chemistry
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Submitted on : Tuesday, April 22, 2014-6:49:43 PM

Last modification on : Friday, June 2, 2023-3:36:26 PM

Long-term archiving on: Monday, April 10, 2017-4:40:33 PM

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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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