Performance of organic/inorganic force field combinations for molecular simulations of smectites intercalated with ethylene glycol evaluated by comparison with X-ray diffraction data

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EuroClay-2015 International Conference, Jul 2015, Edinburgh, United Kingdom
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http://hal.in2p3.fr/in2p3-01577717
Contributeur : Andrey Kalinichev <>
Soumis le : dimanche 27 août 2017 - 23:40:09
Dernière modification le : mardi 16 janvier 2018 - 14:40:50

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  • HAL Id : in2p3-01577717, version 1

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Marek Szczerba, Andrey G. Kalinichev. Performance of organic/inorganic force field combinations for molecular simulations of smectites intercalated with ethylene glycol evaluated by comparison with X-ray diffraction data. EuroClay-2015 International Conference, Jul 2015, Edinburgh, United Kingdom. 〈in2p3-01577717〉

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