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Force field parameterization for accurate molecular modeling of clay edges in classical MD simulations

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http://hal.in2p3.fr/in2p3-01577741
Contributor : Andrey Kalinichev Connect in order to contact the contributor
Submitted on : Monday, August 28, 2017 - 12:48:53 AM
Last modification on : Tuesday, January 11, 2022 - 5:24:02 PM

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  • HAL Id : in2p3-01577741, version 1

Citation

Maxime Pouvreau, Andrey G. Kalinichev. Force field parameterization for accurate molecular modeling of clay edges in classical MD simulations. 16th International Clay Conference, AIPEA, Jul 2017, Granada, Spain. ⟨in2p3-01577741⟩

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