From qftramos*- at -*usc.es  Fri Sep 30 06:11:20 1994
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Date: Fri, 30 Sep 94 11:03:52 +0100
From: qftramos ^at^ usc.es (Antonio Fernandez Ramos)
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To: chemistry -x- at -x- ccl.net
Subject: semiclassical tunneling


Dear netters:

	I'm interested in the semiclassical tunneling models.
Particularly, the models developed by N. Makri and W. H. Miller are
a powerful tool to calculate the splitting in symmetric
systems where there are protonic transference. 

Do programs exist to make these calculations (using basis set
methods, TDSCF or/and classical trajectory simulations), if I have 
output data of ab-initio calculations (minima, TS, frequencies,
IRC, LRP, etc ..)?

Thanks

A. F. Ramos

E-mail: qftramos&$at$&usc.es