WATER Structure & Properties

2/19/99


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NOTICE: This material is copyrighted and all right are reserved. (c) 1998, 1999 J. E. Wampler
Students may make a single copy for study purposes.

Table of Contents

{1} WATER Structure & Properties

{2} Water Models:

{3} 1) Rigid models (Examples of 3 types):

{4} Geometry and Parameters of Some Rigid Water Models (selected)*

{5} The Three Site TIP3P Performs well in simulating Liquid Water Properties:

{6} Other rigid models...

{7} 2) flexible models

Author: J. E. Wampler

Email: wampler@bchiris.bmb.uga.edu

Home Page: http://bmbiris.bmb.uga.edu/BMB8200

References:

Edward Goo's lecture notes on water at the University of Southern California

Anderson, J., Ullo, J. J. and S. Yip (1987), J. Chem. Phys. 87, 1726.

Ahlstrom,P., A.Wallqvit, S. Engstrom and B. Johsson (1989), Mol. Phys 68, 563.

Berendsen, H. J.C., J. P. M. Postma, W. F. van Gunsteren and J. Hermans (1981) in Intermolecular Forces (P. Pullman, Ed.) Reidel, Dordrecht.

Berendsen, H. J. C., J. R> Griegera, and T. P. Straatsma (1987), J. Phys. Chem. 91, 6269.

Jorgensen, W. L., J. Chandrasekhar and J. D. Madura (1983), J. Chem. Phys. 79, 926-935.

Kusalik, P. G., and I. M. Svishchev (1994), Science 265, 1219-1221.

I. Olovsson (1982), Croatica Chem. Acta 55, 171-190.

Robinson, G. W., S. Singh and S-B. Zhu (1993) Field-Perturbed Water in Modern Nonlinear Optics, Part 3, Advances in Chemical Physics, vol. LXXXV (M. Evans and S. Kielich, eds), John Wiley & Sons, Inc., New York, pp. 627-731.

Stillinger, F. H. and A. Rahman (1974) J. Chem. Phys. 60, 1545.

Teeter, M. M. (1991) Water-Protein Interactions in Ann. Rev. Biophys. Biophys. Chem. 20, 577-600.

Toukan, K., and A. Rahman (1985) Rev. Phys B. 32, 2643.

Zhu, S-B., S. Yao, J-B. Zu, S. Singh and G. W. Robinson (1991) J. PHys. Chem 95, 6211.