Dear,
are you sure about that 1990 jacs reference below?
I found
jacs 1985 107 7793-7794 TP Lybrand, I Ghosh, JA McCammon
Hydration of Chloride and Bromide Anions: Determination
of Relative Free Energy by Computer Simulation.
regards
mathy
On Fri, 3 Mar 2006, Vitor Manuel Sousa F?x wrote:
> Javier
>
> Here you are
>
> charge -1
> R*=2.5950 e=0.090
>
> J. Am. Chem. Soc. 112, 10 1990
>
> If you want you can contact me personaly and then I will send a frcmod file
>
> best wishes
> Vitor
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Received on Sun Mar 05 2006 - 06:10:19 PST
