From mercie&$at$&med.cornell.edu  Fri Sep 10 09:13:44 1993
Date: Fri, 10 Sep 1993 13:13:44 -0400 (EDT)
From: Gustavo Mercier <mercie-: at :-med.cornell.edu>
Subject: Re: Experimental ion-neutral interaction energies
To: uchjs ":at:" earth.oscs.montana.edu
Message-Id: <Pine.3.05.9309101340.A4030-a100000 -A_T- med.cornell.edu>




On Thu, 9 Sep 1993 uchjs #at# earth.oscs.montana.edu wrote:

> 
> Hi netters,
> 
> Question: Are there any computational chemists out there with an 
> interest in obtaining experimental, gas-phase interaction energies 
> between ions and neutrals for new systems such as peptides?  Any 
> input would be appreciated. 
> 
> 
This kind of data is crucial for individuals applying advanced Quantum
Mechanical Computations (i.e. GVB, MCSCF,  DFT etc) to larger  system.
I am particularly interested in the interaction with Metalloporphyrins
cations and H2O, but any simpler model system  would also be of interest!

gus mercier
mercie;at;cumc.cornell.edu