TY  - JOUR
ID  - pittir18064
UR  - http://d-scholarship-dev.library.pitt.edu/18064/
IS  - 38
A1  - Tharrington, AN
A1  - Jordan, KD
Y1  - 2003/09/25/
N2  - A theoretical study was performed on water clusters. Parallel-tempering Monte Carlo simulations were used to characterize the finite temperature behavior of the water clusters. The heat capacities, quenched energy distributions, and Landau free energies were calculated to find the nature of the structural transformations that occurred with increasing temperature. Cluster systems were found to be important for computer simulations because their potential energy surfaces possessed large numbers of minima, separated by large potential energy barriers.
JF  - Journal of Physical Chemistry A
VL  - 107
SN  - 1089-5639
TI  - Parallel-Tempering Monte Carlo Study of (H<inf>2</inf>O)<inf>n</inf> = 6-9
SP  - 7380 
AV  - public
EP  -  7389
ER  -