| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5413096 | Journal of Molecular Liquids | 2009 | 4 Pages |
Abstract
A new reverse Monte Carlo (RMC) simulation code has been developed for molecular and ionic liquids, in which the molecular structure is constrained by the molecular mechanics (MM) method, while intermolecular correlations are simulated by the standard RMC algorithm. The present hybrid method (RMC-MM) has been successfully applied to a typical molecular liquid CCl4 and to AlCl3-1-ethyl-3-methyl-imidazolium chloride melt.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Hidetoshi Morita, Shinji Kohara, Takeshi Usuki,