Several Molecular Dynamics simulations of the lamellar solid α-zirconium phosphate have been performed in order to estimate their proton permeability. To this end we first tested the formulation of the Force Field and then we carried out the molecular dynamics calculations aimed at evaluationg proton mobility. © Springer-Verlag Berlin Heidelberg 2007.
CITATION STYLE
Porrni, M., & Laganà, A. (2007). A molecular dynamics study of zirconium phosphate membranes. In Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) (Vol. 4705 LNCS, pp. 295–304). https://doi.org/10.1007/978-3-540-74472-6_23
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