Subject: Re: CCL:geometry of Anthracene

From: "Jan M.L. Martin" <[email-masked]>
Date: Sat, 18 Oct 1997 18:09:42 +0200 (IST)

On Fri, 17 Oct 1997, Stephan P.A. Sauer wrote:

> Hi,
> 
> I am looking for experimentally or theoretically determined bondlengths
> and bondangles of C10H14 anthracene.
In all modesty :-) permit me to recommend

J. M. L. Martin, J. El-Yazal, and J. P. Francois, ``Structure and 
vibrational spectrum of some polycyclic aromatic compounds studied by 
density functional theory. I. Naphthalene, azulene, phenanthrene, and 
anthracene'', Journal of Physical Chemistry 100, 15358-15367 (1996). 

Our best geometries in Cartesian coordinates can be downloaded from
the WWW. There are refs. to expt. geoms. in the paper.

JM
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