Advances in Molecular Simulation Studies of Clay Minerals
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Publisher
Springer International Publishing
Link
http://link.springer.com/content/pdf/10.1007/978-3-319-12661-6_9
Reference23 articles.
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3. Cygan, R. T., Liang, J.-J., & Kalinichev, A. G. (2004). Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field. Journal of Physical Chemistry B, 108(4), 1255–1266.
4. Cygan, R. T., Romanov, V. N., & Myshakin, E. M. (2012). Molecular simulation of carbon dioxide capture by montmorillonite using an accurate and flexible force field. Journal of Physical Chemistry C, 116(24), 13079–13091.
5. Grimme, S., Antony, J., Ehrlich, S., & Krieg, H. (2010). A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. Journal of Chemical Physics, 132(15), 154104.
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