Subject: admantane_summary

From: Demetrios Xenides <[email-masked]>
Date: Sun, 18 Jun 2000 14:02:32 +0300

First of all I would like to say a big thank you to every one who
respond to my posting.

I have already received many answers since the time I did the posting.
Unfortunately after I did it the Departmental mail server crashed....So
I got most of messages with a delay of 1day. No matter that delay most
of messages are pointing in the target of my question. So, here follows
the summary:

1. Mathew D. Halls

He offered me his (unpublished) results on a geometry optimization of
the adamantane at HF level using Sadlej basis sets.

2. Rick Venable proposed the following

Can't you just use cyclohexane geometries multiple times?

No cause in adamantane the angles have to be different than those in
cyclohexane!

3. Ralph Puchta

Pointed my surveys to early publications of one of the best chemists
Paul von Rague Schleyer. He also offered to send me a DFT calculation he
had done.

4. Ray Fort Jr.

He agreed with my response to (2) furthermore he proposed the following
references to X-ray and electron diffraction stuff

Gazz. Chem. Ital., 75, 246 (1945)
Helv. Chim Acta, 28, 1233 (1945)
J. Am. Chem. Soc., 70, 1497 (1948)
J. Phys. Chem., 71, 2379 (1967)
J. Am. Chem. Soc., 90, 74 (1968)
J. Chem. Soc., A, 1116 (1968)
Chem. Comm., 716 (1970)
Chem. Comm., 1499 (1971)

5. Jim Kress

He proposed a URL where I supposed to retrieve the requested structure
but in vain...cause the URL does not work. But he gave me the
oppurtunity to pay a visit to his web page...Speechless I can't say
anything else.

Thanks all oncemore for the immediate responses and the invaluable help
(one way or another)

Demetrios