Subject: PCM for TM - SUMMARY(very short)

From: val <[email-masked]>
Date: Sun, 18 Oct 1998 15:03:34 -0700

Dear CCL'ers,

A week ago I sent a question concerning literature references on 
PCM solvation model usage for transition metal complexes. I got
one replay from Miquel SolЮ <[email-masked]>. Thanks Miquel!

The original request and a reply are given below. It seems, on the
moment PCM method has not been widely tested for TM cases. Is it so?

Nevertheless, further references and comments are welcome.

 regards,
 Valentin.

*********************** original question ****************** 
Date: Mon, 12 Oct 1998 11:39:26 -0700
From: val <[email-masked]>
To:   CCL_post <[email-masked]>
Subject: CCL:PCM for TM

Dear CCL'ers,

I am looking for the examples of PCM solvation model usage for
energy and geometry corrections in the case of transition metal (TM)
complexes. Particularly, platinum complexes are of most interest,
however, any other TM references are also very welcome.

Thanks!

 sincerely,
 Valentin.

PS Of course, a summary of the replies (if any) will be made.

+++++++++++++++++++++++++++ replay +++++++++++++++++++++++++++
Date: Wed, 14 Oct 1998 10:28:13 +0200
From: "Miquel SolЮ" <[email-masked]>
To:   [email-masked]
Subject: PCM for TM

Dear Valentin,

For an example of solvent effects (included with the PCM model)
on the last step of the hydrogenation of CO2 catalyzed by Rh 
complexes take a look at:

C.S. Pomelli et al. Organometallics 17 (1998) 3164-3168

Sincerely,

Miquel

 -*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*
 Dr. Miquel Sola 
 Institut de Quimica Computacional   
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