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Structure and H-bonding of aqueous carbonate species from ab initio MD simulation (invited talk)

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in2p3-00770622 , version 1 (07-01-2013)

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  • HAL Id : in2p3-00770622 , version 1

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P. Padma Kumar, Andrey G. Kalinichev, R. James Kirkpatrick. Structure and H-bonding of aqueous carbonate species from ab initio MD simulation (invited talk). CECAM Workshop "Microscopic-Scale View of CO2 Sequestration", Centre Européen de Calcul Atomique et Moléculaire, Jun 2011, Lausanne, Switzerland. ⟨in2p3-00770622⟩
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