Subject: Re: CCL:Dynamics of rare events

From: <[email-masked]>
Date: Tue, 22 Apr 1997 11:12:14 +0200 (DFT)

Hi Alex,

There is a really nice paper about rare event dynamics dealing
with ethylene bromination.

M. Strnad, M. T. C. Martins-Costa, C. Millot, I. Tunon, M. F. Ruiz-Lopez
and J.-L. Rivail
"Molecular Dynamics simulations of elementary chemical processes in liquid
water using combined density functional and molecular mechanics potentials.
II. Charge separation processes."
J. CHem. Phys. 106 (1997) 3643-3657.

You can also have a look a the previous paper from the same issue of
J. Chem. Phys. pp 3633-3642 of the same groupe of people.

Hope this helps.
				...Xav

[email-masked]