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

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Chemical Sciences Theoretical and/or physical chemistry Chemical Sciences Material chemistry Sciences of the Universe [physics] Earth Sciences Geochemistry Environmental Sciences Global Changes Sciences of the Universe [physics] Earth Sciences Mineralogy

Andrey Kalinichev  : Connect in order to contact the contributor

https://hal.in2p3.fr/in2p3-00770622

Submitted on : Monday, January 7, 2013-11:37:29 AM

Last modification on : Wednesday, April 27, 2022-3:52:31 AM

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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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IN2P3 UNIV-NANTES SUBATECH CNRS IMT-ATLANTIQUE SUBATECH-RADIOCHIMIE NANTES-UNIVERSITE
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