Subject: Re: CCL:Switching functions and double cutoffs

From: Rick Venable <[email-masked]>
Date: Wed, 18 Feb 1998 15:07:30 -0500 (EST)

On Tue, 17 Feb 1998, Laurence Lavelle wrote:
>The same cannot be said for the infamous spherical bag of waters; a simulation
>of that system represents a solute in an isolated droplet of a vacuum aerosol,
>and not a protein in solution.  The pressure is not exactly determined, and
>there are electrostatic artefacts induced by the dielectric boundary
>(water/vacuum); charges behave as if there were an image of the charge on the
>the vacuum side of the boundary.  While I don't have the page number, I've
>been told the reference for the "image charge" phenomenon is a paper by
>Onsager in Vol. 1, No. 1 of either J. Chem. Phys. or J. Phys. Chem.; 

I haven't found that one either, but here's the one on reaction fields:

Electric Moments of Molecules in Liquids, L. Onsager, JACS 58:1486-93 (1936)

--
Rick Venable                  =====\     |=|    "Eschew Obfuscation"
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