A novel united-atom force field for imidazolium-based ionic liquids
Abstract
A novel united-atom (UA) force field is proposed from our previously developed all-atom (AA) force field (J. Phys. Chem. B, 2004, 108, 12978.) for the imidazolium-based
* Corresponding authors
a
Division of Molecular and Materials Simulation, Key Lab for Nanomaterials, Ministry of Education, Beijing University of Chemical Technology, Beijing
E-mail:
wchwang@163bj.com
A novel united-atom (UA) force field is proposed from our previously developed all-atom (AA) force field (J. Phys. Chem. B, 2004, 108, 12978.) for the imidazolium-based
Z. Liu, X. Wu and W. Wang, Phys. Chem. Chem. Phys., 2006, 8, 1096 DOI: 10.1039/B515905A
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