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Isomers of (LiBr) n n=4,5,8 and their interconversion |
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| Authors: | Vincent K. W. Cheng John P. Rose R. Stephen Berry |
| Affiliation: | 1. Department of Physics, University of Hong Kong, Pokfulam Road, Hong Kong 2. Department of Chemistry and the James Franck Institute, The University of Chicago, 5735 South Ellis Avenue, 60637, Chicago, Illinois, USA |
| Abstract: | The structure and long-time dynamics of (LiBr) n n=4,5,8 were studied by optimization and molecular dynamics. The ring structure, double ring stack for (LiBr)8, was found to be the energy minimum. They are dynamically flexible and, particularly for (LiBr)4 and (LiBr)5, hardly isomerise into other isomers determined by optimization. (LiBr)8 is probably a promising candidate to exhibit dynamic coexistence among a number of isomers. |
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