TY  - JOUR
ID  - pittir18395
UR  - http://d-scholarship-dev.library.pitt.edu/18395/
IS  - 19-22
A1  - Defusco, A
A1  - Schofield, DP
A1  - Jordan, KD
Y1  - 2007/10/21/
N2  - In this work we examine three water models, including one developed by us, with distributed polarizable sites. These models are assessed by comparison with the results of MP2 calculations. The use of distributed polarizable sites is found to be especially important for describing the 3-body interaction energies of water clusters. It is also shown that all-atom repulsion terms are necessary to accurately describe cluster geometries.
JF  - Molecular Physics
VL  - 105
SN  - 0026-8976
TI  - Comparison of models with distributed polarizable sites for describing water clusters
SP  - 2681 
AV  - public
EP  -  2696
ER  -