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

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http://hal.in2p3.fr/in2p3-00770622
Contributor : Andrey Kalinichev <>
Submitted on : Monday, January 7, 2013 - 11:37:29 AM
Last modification on : Wednesday, August 7, 2019 - 2:32:05 PM

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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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