Subject: g94 irc problem

From: SZIEBERTH Denes <[email-masked]>
Date: Fri, 5 Dec 1997 22:16:28 +0100 (MET)

Dear CCL'ers

 Several of my internal reaction coordinate -following optimum searches
run into the same problem: from a TS which has a negative frequency 
apparently corresponding to a dissociation, the resulting minima in both
direction are the same. Has anyone experienced similar problems? Could it
be a problem of the IRC method implemented in gaussian? I'd be grateful for
any kind of help.

      Denes Szieberth
      Dept. of Inorganic Chemistry 
      Technical University of Budapest
      Hungary 
 
      [email-masked]

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From: Stanislaw Oldziej <[email-masked]>
Date: Mon, 8 Dec 1997 14:46:37 -0500 (EST)

Hi,

I'm looking for:

1. Parameters (references) for metal cations like Mg2+, Pb2+, Mn2+, Cd2+
ect. for AMBER force-field.

2. For good reference about solvatation of metal cations.

Thank You,

Dr Stanisalw Oldziej
DIRO University of Montreal
CANADA