@article{pittir16079,
          volume = {125},
          number = {17},
           month = {November},
           title = {Low-lying isomers and finite temperature behavior of (H{\ensuremath{<}}inf{\ensuremath{>}}2{\ensuremath{<}}/inf{\ensuremath{>}}O) {\ensuremath{<}}inf{\ensuremath{>}}6{\ensuremath{<}}/inf{\ensuremath{>}}{\ensuremath{<}}sup{\ensuremath{>}}-{\ensuremath{<}}/sup{\ensuremath{>}}},
          author = {T Sommerfeld and SD Gardner and A DeFusco and KD Jordan},
            year = {2006},
         journal = {Journal of Chemical Physics},
             url = {http://d-scholarship-dev.library.pitt.edu/16079/},
        abstract = {(H2 O) 6- appears as a "magic" number water cluster in (H2 O) n- mass spectra. The structure of the (H2 O) 6- isomer dominating the experimental population has been established only recently [N. I. Hammer, J. Phys. Chem. A 109, 7896 (2005)], and the most noteworthy characteristic of this isomer is the localization of the excess electron in the vicinity of a double-acceptor monomer. In the present work, we use a quantum Drude model to characterize the low-energy isomers and the finite temperature properties of (H2 O) 6-. Comparison with ab initio calculations shows that the use of a water model employing distributed polarizabilities and distributed repulsive sites is necessary to correctly reproduce the energy ordering of the low-lying isomers. Both the simulations and the ab initio calculations predict that there are several isomers of (H2 O) 6- significantly lower in energy than the experimentally observed species, suggesting that the experimental distribution is far from equilibrium. {\copyright} 2006 American Institute of Physics.}
}