Subject: Re: CCL:MD simulations of liquids and electron transfer

From: Keith Refson <[email-masked]>
Date: Tue, 18 Jun 1996 16:10:28 +0100

Darren Andrews wrote:
> 
> I am looking for a program that will calculate molecular dynamics for
> solvent/solute systems where a reaction (electron transfer) occurs.  Is
> there a general code for the liquid dynamics bit and is there a standard
> way of modelling the reaction?

I vaguely recall that Michiel Sprik did some work somewhat similar to this.
Try a BIDS search on his name, and you might turn up something.  And he and
Mike Klein (I think) did some Feynmann path-integral MD on solvation of
an electron.

sincerely

Keith Refson

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