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Structure and dynamics of CO2, H2CO3, HCO3-, CO32- in aqueous solutions: Ab initio molecular dynamics simulations

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http://hal.in2p3.fr/in2p3-00770626
Contributor : Andrey Kalinichev Connect in order to contact the contributor
Submitted on : Monday, January 7, 2013 - 11:40:26 AM
Last modification on : Tuesday, January 11, 2022 - 5:24:02 PM

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  • HAL Id : in2p3-00770626, version 1

Citation

P. Padma Kumar, Andrey G. Kalinichev, R. James Kirkpatrick. Structure and dynamics of CO2, H2CO3, HCO3-, CO32- in aqueous solutions: Ab initio molecular dynamics simulations. 32nd International Conference on Solution Chemistry, Aug 2011, La Grande Motte, France. ⟨in2p3-00770626⟩

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