Vkw. Cheng et al., ISOMERS OF (LIBR)N N = 4, 5, 8 AND THEIR INTERCONVERSION, Zeitschrift fur Physik. D, Atoms, molecules and clusters, 26(1-4), 1993, pp. 195-197
The structure and long-Lime dynamics of (LiBr)n n = 4,5,8 were studied
by optimization and molecular dynamics. The ring structure, double ri
ng stack for (LiBr)8, was found to be the energy minimum. They are dyn
amically flexible and, particularly for (LiBr)4 and (LiBr)5, hardly is
omerise into other isomers determined by optimization. (LiBr)8 is prob
ably a promising candidate to exhibit dynamic coexistence among a numb
er of isomers.