Subject: interaction: cation - neutral molecules

From: [email-masked] (Martin Badertscher)
Date: Sat, 8 Feb 1997 18:45:12 +0100

Most efficient: one answer to two requests:

1. Subhash S. Pingale wrote:

>       I am interested in the complexes of cation-neutral molecule. I shall
> be grateful to you if you can send me the references of recent works
> on 'CATION BINDING' studied experimentally or theoretically.

This is the topic of my dissertation, and I am still interested in the
field. I have not published recently, but I am still monitoring the field.
I have plenty of unpublished results and I believe I can help you if you
have particular questions.

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2. Michael Nolan wrote

> 1: Can someone please DEFINE BSSE...I see it all the time and i have a
> reasonable idea, but i do not know how to define it. It is important that
> i do for my final year research project.

I wrote a small review some time ago to explain certain particularities and
pitfalls of interaction energy calculations. There I addressed the problem
of the basis set superposition error, amongst other things. The separata
were immediately sold out, so the paper was obviously considered relevant:
Badertscher, M., et al.,
"Combined Application of Pair Potentials and the MM2 Force Field for the
Modeling of Ionophores",
Journal of Computational Chemistry, Vol 11, (1990), Nr. 7, p. 819-828

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If you are working in the field of modeling ionophores, or more general the
interaction between cations and neutral ligands, please let me know.
Provided you don't ask me how I am, how my grandmother is, and what the
weather is on the campus, you may find a collaborator.

Martin Badertscher, head of radiochemistry,
dpt. of organic chemistry, federal institute of technology, Zurich, Switzerland

E-Mail:  [email-masked]